tert-butyl N-((5-amino-1H-1,2,4-triazol-3-yl)methyl)carbamate
TL;DR: tert-butyl N-((5-amino-1H-1,2,4-triazol-3-yl)methyl)carbamate (CAS 907988-46-9) is a chemical compound with molecular formula C8H15N5O2 and molecular weight 213.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]carbamate
Also Known As: ChemDiv3_011454, IDI1_029012, TERT-BUTYL N-[(5-AMINO-1H-1,2,4-TRIAZOL-3-YL)METHYL]CARBAMATE, tert-butyl (3-amino-1H-1,2,4-triazol-5-yl)methylcarbamate, tert-butyl N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]carbamate
| Molecular Formula | C8H15N5O2 |
|---|---|
| Molecular Weight | 213.12 g/mol |
| LogP | 0.4116 |
| Topological Polar Surface Area | 105.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.12257 |
| Heavy Atoms | 15 |
| Complexity | 341.0464 |
Chemical Identifiers
| CAS Number | 907988-46-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCC1=NC(=NN1)N |
Product Overview
tert-butyl N-((5-amino-1H-1,2,4-triazol-3-yl)methyl)carbamate (CAS 907988-46-9), with molecular formula C8H15N5O2 and molecular weight 213.12 g/mol. IUPAC: tert-butyl N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]carbamate.
Chemical Property Profile of tert-butyl N-((5-amino-1H-1,2,4-triazol-3-yl)methyl)carbamate
Property Insights of tert-butyl N-((5-amino-1H-1,2,4-triazol-3-yl)methyl)carbamate
The XLogP value of 0.4116 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-((5-amino-1H-1,2,4-triazol-3-yl)methyl)carbamate. The TPSA of 105.92 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl N-((5-amino-1H-1,2,4-triazol-3-yl)methyl)carbamate. Following Lipinski's Rule of Five, tert-butyl N-((5-amino-1H-1,2,4-triazol-3-yl)methyl)carbamate has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of tert-butyl N-((5-amino-1H-1,2,4-triazol-3-yl)methyl)carbamate?
The CAS number of tert-butyl N-((5-amino-1H-1,2,4-triazol-3-yl)methyl)carbamate is 907988-46-9.
What is the molecular formula of tert-butyl N-((5-amino-1H-1,2,4-triazol-3-yl)methyl)carbamate?
The molecular formula of tert-butyl N-((5-amino-1H-1,2,4-triazol-3-yl)methyl)carbamate is C8H15N5O2.
What is the molecular weight of tert-butyl N-((5-amino-1H-1,2,4-triazol-3-yl)methyl)carbamate?
The molecular weight of tert-butyl N-((5-amino-1H-1,2,4-triazol-3-yl)methyl)carbamate is 213.12 g/mol.
Where can I buy tert-butyl N-((5-amino-1H-1,2,4-triazol-3-yl)methyl)carbamate?
You can request a quote for tert-butyl N-((5-amino-1H-1,2,4-triazol-3-yl)methyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl N-((5-amino-1H-1,2,4-triazol-3-yl)methyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-((5-amino-1H-1,2,4-triazol-3-yl)methyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.