1-hydroxy-7-nitro-7H-1,2,4-benzotriazin-3-amine
TL;DR: 1-hydroxy-7-nitro-7H-1,2,4-benzotriazin-3-amine (CAS 1016-90-6) is a chemical compound with molecular formula C7H7N5O3 and molecular weight 209.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-7-nitro-7H-1,2,4-benzotriazin-3-amine
Also Known As: 1-hydroxy-7-nitro-7H-1,2,4-benzotriazin-3-amine, 3-Amino-7-nitro-1,2,4-benzotriazin-1(7H)-ol, 1,2,4-BENZOTRIAZIN-3-AMINE,7-NITRO-, 1-OXIDE
| Molecular Formula | C7H7N5O3 |
|---|---|
| Molecular Weight | 209.05 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.05489 |
| Heavy Atoms | 15 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 1016-90-6 |
|---|---|
| SMILES | C1=CC2=NC(=NN(C2=CC1[N+](=O)[O-])O)N |
| InChIKey | NHMLUNKMFNFIPZ-UHFFFAOYSA-N |
Product Overview
1-hydroxy-7-nitro-7H-1,2,4-benzotriazin-3-amine (CAS 1016-90-6), with molecular formula C7H7N5O3 and molecular weight 209.05 g/mol. IUPAC: 1-hydroxy-7-nitro-7H-1,2,4-benzotriazin-3-amine.
Chemical Property Profile of 1-hydroxy-7-nitro-7H-1,2,4-benzotriazin-3-amine
Property Insights of 1-hydroxy-7-nitro-7H-1,2,4-benzotriazin-3-amine
The XLogP value of -0.2 indicates that 1-hydroxy-7-nitro-7H-1,2,4-benzotriazin-3-amine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-hydroxy-7-nitro-7H-1,2,4-benzotriazin-3-amine. Following Lipinski's Rule of Five, 1-hydroxy-7-nitro-7H-1,2,4-benzotriazin-3-amine has 2 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 1-hydroxy-7-nitro-7H-1,2,4-benzotriazin-3-amine?
The CAS number of 1-hydroxy-7-nitro-7H-1,2,4-benzotriazin-3-amine is 1016-90-6.
What is the molecular formula of 1-hydroxy-7-nitro-7H-1,2,4-benzotriazin-3-amine?
The molecular formula of 1-hydroxy-7-nitro-7H-1,2,4-benzotriazin-3-amine is C7H7N5O3.
What is the molecular weight of 1-hydroxy-7-nitro-7H-1,2,4-benzotriazin-3-amine?
The molecular weight of 1-hydroxy-7-nitro-7H-1,2,4-benzotriazin-3-amine is 209.05 g/mol.
Where can I buy 1-hydroxy-7-nitro-7H-1,2,4-benzotriazin-3-amine?
You can request a quote for 1-hydroxy-7-nitro-7H-1,2,4-benzotriazin-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-hydroxy-7-nitro-7H-1,2,4-benzotriazin-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-hydroxy-7-nitro-7H-1,2,4-benzotriazin-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.