6-(1H-benzimidazol-2-yl)tetrazolo[1,5-b][1,2,4]triazin-7-amine

C10H7N9 — CID 137288079

IUPAC6-(1H-benzimidazol-2-yl)tetrazolo[1,5-b][1,2,4]triazin-7-amine
SMILESNc1nc2nnnn2nc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C10H7N9/c11-8-7(16-19-10(14-8)15-17-18-19)9-12-5-3-1-2-4-6(5)13-9/h1-4H,(H,12,13)(H2,11,14,15,18)
InChIKeyYQJYKCAHVRXQIE-UHFFFAOYSA-N
MW253.23 g/mol
LogP0.04
Rot. Bonds1

About 6-(1H-benzimidazol-2-yl)tetrazolo[1,5-b][1,2,4]triazin-7-amine

6-(1H-benzimidazol-2-yl)tetrazolo[1,5-b][1,2,4]triazin-7-amine (PubChem CID 137288079) has the molecular formula C10H7N9 and a molecular weight of 253.23 g/mol. Its IUPAC name is 6-(1H-benzimidazol-2-yl)tetrazolo[1,5-b][1,2,4]triazin-7-amine.

Molecular Properties

Compound Name6-(1H-benzimidazol-2-yl)tetrazolo[1,5-b][1,2,4]triazin-7-amine
PubChem CID137288079
Molecular FormulaC10H7N9
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name6-(1H-benzimidazol-2-yl)tetrazolo[1,5-b][1,2,4]triazin-7-amine
SMILESNc1nc2nnnn2nc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C10H7N9/c11-8-7(16-19-10(14-8)15-17-18-19)9-12-5-3-1-2-4-6(5)13-9/h1-4H,(H,12,13)(H2,11,14,15,18)
InChIKeyYQJYKCAHVRXQIE-UHFFFAOYSA-N
XLogP0.04
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(1H-benzimidazol-2-yl)tetrazolo[1,5-b][1,2,4]triazin-7-amine with MolForge

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

Launch Full Analysis

Related Compounds

5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine
CID 102284104
2-(1H-benzimidazol-2-yl)aniline;dihydrochloride
CID 133057606
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride
CID 16721057
2-(2-benzyl-5-phenyltriazol-4-yl)-1H-benzimidazole
CID 139193786
benzene-1,2-diamine;6-(1H-benzimidazol-2-yl)pyridin-2-amine
CID 159111206
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;zinc
CID 174639851
4-(3-aminophenyl)-3-(1H-benzimidazol-2-yl)aniline
CID 141467779
4-(1H-benzimidazol-2-yl)-1-methyl-3-methylsulfanylpyrazol-5-amine
CID 102199414
CID 121235374
CID 121235374

Frequently Asked Questions

What is the IUPAC name of 6-(1H-benzimidazol-2-yl)tetrazolo[1,5-b][1,2,4]triazin-7-amine?
The IUPAC name of 6-(1H-benzimidazol-2-yl)tetrazolo[1,5-b][1,2,4]triazin-7-amine (CID 137288079) is 6-(1H-benzimidazol-2-yl)tetrazolo[1,5-b][1,2,4]triazin-7-amine.
What is the SMILES notation for 6-(1H-benzimidazol-2-yl)tetrazolo[1,5-b][1,2,4]triazin-7-amine?
The canonical SMILES for 6-(1H-benzimidazol-2-yl)tetrazolo[1,5-b][1,2,4]triazin-7-amine is Nc1nc2nnnn2nc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 6-(1H-benzimidazol-2-yl)tetrazolo[1,5-b][1,2,4]triazin-7-amine?
The InChIKey is YQJYKCAHVRXQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N9/c11-8-7(16-19-10(14-8)15-17-18-19)9-12-5-3-1-2-4-6(5)13-9/h1-4H,(H,12,13)(H2,11,14,15,18).
What are the key properties of 6-(1H-benzimidazol-2-yl)tetrazolo[1,5-b][1,2,4]triazin-7-amine?
6-(1H-benzimidazol-2-yl)tetrazolo[1,5-b][1,2,4]triazin-7-amine has a molecular weight of 253.23 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-benzimidazol-2-yl)tetrazolo[1,5-b][1,2,4]triazin-7-amine is sourced from PubChem (CID 137288079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).