(5-Aminotriazol-4-ylidene)methanediamine
TL;DR: (5-Aminotriazol-4-ylidene)methanediamine (CAS 16968-07-3) is a chemical compound with molecular formula C3H6N6 and molecular weight 126.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2H-triazole-4-carboximidamide
Also Known As: (5-aminotriazol-4-ylidene)methanediamine, 5-Amino-1H-1,2,3-triazole-4-carboximidamide, 1-(5-Amino-4H-1,2,3-triazol-4-ylidene)methanediamine, 1H-1,2,3-TRIAZOLE-4-CARBOXIMIDAMIDE,5-AMINO-
| Molecular Formula | C3H6N6 |
|---|---|
| Molecular Weight | 126.07 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.06539 |
| Heavy Atoms | 9 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 16968-07-3 |
|---|---|
| SMILES | C1(=NNN=C1N)C(=N)N |
| InChIKey | JUZNULIJPHIETQ-UHFFFAOYSA-N |
Product Overview
(5-Aminotriazol-4-ylidene)methanediamine (CAS 16968-07-3), with molecular formula C3H6N6 and molecular weight 126.07 g/mol. IUPAC: 5-amino-2H-triazole-4-carboximidamide.
Chemical Property Profile of (5-Aminotriazol-4-ylidene)methanediamine
Property Insights of (5-Aminotriazol-4-ylidene)methanediamine
The XLogP value of -0.9 indicates that (5-Aminotriazol-4-ylidene)methanediamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Aminotriazol-4-ylidene)methanediamine. Following Lipinski's Rule of Five, (5-Aminotriazol-4-ylidene)methanediamine has 4 hydrogen bond donor(s) and 4 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 (5-Aminotriazol-4-ylidene)methanediamine?
The CAS number of (5-Aminotriazol-4-ylidene)methanediamine is 16968-07-3.
What is the molecular formula of (5-Aminotriazol-4-ylidene)methanediamine?
The molecular formula of (5-Aminotriazol-4-ylidene)methanediamine is C3H6N6.
What is the molecular weight of (5-Aminotriazol-4-ylidene)methanediamine?
The molecular weight of (5-Aminotriazol-4-ylidene)methanediamine is 126.07 g/mol.
Where can I buy (5-Aminotriazol-4-ylidene)methanediamine?
You can request a quote for (5-Aminotriazol-4-ylidene)methanediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Aminotriazol-4-ylidene)methanediamine?
Yes, KEHONG BIO provides custom synthesis services for (5-Aminotriazol-4-ylidene)methanediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.