5-(3-Methyltriazen-1-yl)imidazole-4-carboxamide
TL;DR: 5-(3-Methyltriazen-1-yl)imidazole-4-carboxamide (CAS 3413-72-7) is a chemical compound with molecular formula C5H8N6O and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methyliminohydrazinyl)-1H-imidazole-5-carboxamide
Also Known As: MTIC, Temozolomide Impurity 4, MTIC-d3, 5-(3-Methyl-1-triazeno)imidazole-4-carboxamide, Temozolomide Metabolite-MTIC
| Molecular Formula | C5H8N6O |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.07596 |
| Heavy Atoms | 12 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 3413-72-7 |
|---|---|
| SMILES | CN=NNC1=C(NC=N1)C(=O)N |
| InChIKey | MVBPAIHFZZKRGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(3-Methyltriazen-1-yl)imidazole-4-carboxamide (CAS 3413-72-7), with molecular formula C5H8N6O and molecular weight 168.08 g/mol. IUPAC: 4-(2-methyliminohydrazinyl)-1H-imidazole-5-carboxamide.
Chemical Property Profile of 5-(3-Methyltriazen-1-yl)imidazole-4-carboxamide
Property Insights of 5-(3-Methyltriazen-1-yl)imidazole-4-carboxamide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Methyltriazen-1-yl)imidazole-4-carboxamide. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Methyltriazen-1-yl)imidazole-4-carboxamide. Following Lipinski's Rule of Five, 5-(3-Methyltriazen-1-yl)imidazole-4-carboxamide 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 5-(3-Methyltriazen-1-yl)imidazole-4-carboxamide?
The CAS number of 5-(3-Methyltriazen-1-yl)imidazole-4-carboxamide is 3413-72-7.
What is the molecular formula of 5-(3-Methyltriazen-1-yl)imidazole-4-carboxamide?
The molecular formula of 5-(3-Methyltriazen-1-yl)imidazole-4-carboxamide is C5H8N6O.
What is the molecular weight of 5-(3-Methyltriazen-1-yl)imidazole-4-carboxamide?
The molecular weight of 5-(3-Methyltriazen-1-yl)imidazole-4-carboxamide is 168.08 g/mol.
Where can I buy 5-(3-Methyltriazen-1-yl)imidazole-4-carboxamide?
You can request a quote for 5-(3-Methyltriazen-1-yl)imidazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Methyltriazen-1-yl)imidazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Methyltriazen-1-yl)imidazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.