N-(1,3,5-triazin-2-yl)-2H-benzotriazol-4-amine

C9H7N7 — CID 69347481

IUPACN-(1,3,5-triazin-2-yl)-2H-benzotriazol-4-amine
SMILESc1cc(Nc2ncncn2)c2n[nH]nc2c1
InChIInChI=1S/C9H7N7/c1-2-6(8-7(3-1)14-16-15-8)13-9-11-4-10-5-12-9/h1-5H,(H,14,15,16)(H,10,11,12,13)
InChIKeyXPSLUEXNEKSLJO-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.89
Rot. Bonds2

About N-(1,3,5-triazin-2-yl)-2H-benzotriazol-4-amine

N-(1,3,5-triazin-2-yl)-2H-benzotriazol-4-amine (PubChem CID 69347481) has the molecular formula C9H7N7 and a molecular weight of 213.20 g/mol. Its IUPAC name is N-(1,3,5-triazin-2-yl)-2H-benzotriazol-4-amine.

Molecular Properties

Compound NameN-(1,3,5-triazin-2-yl)-2H-benzotriazol-4-amine
PubChem CID69347481
Molecular FormulaC9H7N7
Molecular Weight213.20 g/mol
Exact Mass213.08
IUPAC NameN-(1,3,5-triazin-2-yl)-2H-benzotriazol-4-amine
SMILESc1cc(Nc2ncncn2)c2n[nH]nc2c1
InChIInChI=1S/C9H7N7/c1-2-6(8-7(3-1)14-16-15-8)13-9-11-4-10-5-12-9/h1-5H,(H,14,15,16)(H,10,11,12,13)
InChIKeyXPSLUEXNEKSLJO-UHFFFAOYSA-N
XLogP0.89
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1,3,5-triazin-2-yl)-2H-benzotriazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3,5-triazin-2-yl)-2H-benzotriazol-4-amine?
The IUPAC name of N-(1,3,5-triazin-2-yl)-2H-benzotriazol-4-amine (CID 69347481) is N-(1,3,5-triazin-2-yl)-2H-benzotriazol-4-amine.
What is the SMILES notation for N-(1,3,5-triazin-2-yl)-2H-benzotriazol-4-amine?
The canonical SMILES for N-(1,3,5-triazin-2-yl)-2H-benzotriazol-4-amine is c1cc(Nc2ncncn2)c2n[nH]nc2c1.
What is the InChIKey of N-(1,3,5-triazin-2-yl)-2H-benzotriazol-4-amine?
The InChIKey is XPSLUEXNEKSLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N7/c1-2-6(8-7(3-1)14-16-15-8)13-9-11-4-10-5-12-9/h1-5H,(H,14,15,16)(H,10,11,12,13).
What are the key properties of N-(1,3,5-triazin-2-yl)-2H-benzotriazol-4-amine?
N-(1,3,5-triazin-2-yl)-2H-benzotriazol-4-amine has a molecular weight of 213.20 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,5-triazin-2-yl)-2H-benzotriazol-4-amine is sourced from PubChem (CID 69347481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).