1-(diaminomethylidene)-2-(1H-1,2,4-triazol-5-yl)guanidine
TL;DR: 1-(diaminomethylidene)-2-(1H-1,2,4-triazol-5-yl)guanidine (CAS 46119-11-3) is a chemical compound with molecular formula C4H8N8 and molecular weight 168.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diaminomethylidene)-2-(1H-1,2,4-triazol-5-yl)guanidine
Also Known As: Cyclopropanepropanol,2-cyclopropylidene, 1-(diaminomethylidene)-2-(1h-1,2,4-triazol-5-yl)guanidine, 1-carbamimidamido-N-(1H-1,2,4-triazol-3-yl)methanimidamide
| Molecular Formula | C4H8N8 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.08719 |
| Heavy Atoms | 12 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 46119-11-3 |
|---|---|
| SMILES | C1=NNC(=N1)N=C(N)N=C(N)N |
| InChIKey | LPTZMLCROXWAPH-UHFFFAOYSA-N |
Product Overview
1-(diaminomethylidene)-2-(1H-1,2,4-triazol-5-yl)guanidine (CAS 46119-11-3), with molecular formula C4H8N8 and molecular weight 168.09 g/mol. IUPAC: 1-(diaminomethylidene)-2-(1H-1,2,4-triazol-5-yl)guanidine.
Chemical Property Profile of 1-(diaminomethylidene)-2-(1H-1,2,4-triazol-5-yl)guanidine
Property Insights of 1-(diaminomethylidene)-2-(1H-1,2,4-triazol-5-yl)guanidine
The XLogP value of -1.7 indicates that 1-(diaminomethylidene)-2-(1H-1,2,4-triazol-5-yl)guanidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 144.0 Ų indicates high polarity, suggesting 1-(diaminomethylidene)-2-(1H-1,2,4-triazol-5-yl)guanidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(diaminomethylidene)-2-(1H-1,2,4-triazol-5-yl)guanidine has 4 hydrogen bond donor(s) and 3 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 1-(diaminomethylidene)-2-(1H-1,2,4-triazol-5-yl)guanidine?
The CAS number of 1-(diaminomethylidene)-2-(1H-1,2,4-triazol-5-yl)guanidine is 46119-11-3.
What is the molecular formula of 1-(diaminomethylidene)-2-(1H-1,2,4-triazol-5-yl)guanidine?
The molecular formula of 1-(diaminomethylidene)-2-(1H-1,2,4-triazol-5-yl)guanidine is C4H8N8.
What is the molecular weight of 1-(diaminomethylidene)-2-(1H-1,2,4-triazol-5-yl)guanidine?
The molecular weight of 1-(diaminomethylidene)-2-(1H-1,2,4-triazol-5-yl)guanidine is 168.09 g/mol.
Where can I buy 1-(diaminomethylidene)-2-(1H-1,2,4-triazol-5-yl)guanidine?
You can request a quote for 1-(diaminomethylidene)-2-(1H-1,2,4-triazol-5-yl)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(diaminomethylidene)-2-(1H-1,2,4-triazol-5-yl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(diaminomethylidene)-2-(1H-1,2,4-triazol-5-yl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.