4-(benzimidazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C13H10N8 — CID 80841169

IUPAC4-(benzimidazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(-n2cccn2)nc(-n2cnc3ccccc32)n1
InChIInChI=1S/C13H10N8/c14-11-17-12(19-13(18-11)21-7-3-6-16-21)20-8-15-9-4-1-2-5-10(9)20/h1-8H,(H2,14,17,18,19)
InChIKeyIVIBTSCISVUBEZ-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.98
Rot. Bonds2

About 4-(benzimidazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-(benzimidazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80841169) has the molecular formula C13H10N8 and a molecular weight of 278.28 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80841169
Molecular FormulaC13H10N8
Molecular Weight278.28 g/mol
Exact Mass278.10
IUPAC Name4-(benzimidazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(-n2cccn2)nc(-n2cnc3ccccc32)n1
InChIInChI=1S/C13H10N8/c14-11-17-12(19-13(18-11)21-7-3-6-16-21)20-8-15-9-4-1-2-5-10(9)20/h1-8H,(H2,14,17,18,19)
InChIKeyIVIBTSCISVUBEZ-UHFFFAOYSA-N
XLogP0.98
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(benzimidazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80853978
4-(2-methylimidazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80854151
4-(4-iodopyrazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80868896
4-piperidin-1-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80765065
4-(benzimidazol-1-yl)-6-methoxypyrimidin-2-amine
CID 114053321
1-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol
CID 80764921
4-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80855646
4-(2-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80885105
2-(benzimidazol-1-yl)-3-methylquinoxaline
CID 115579889
4-(benzimidazol-1-yl)pyrazolo[1,5-a]pyrazine
CID 104734400
4-(benzimidazol-1-yl)pyridin-3-amine
CID 28890030
2-(benzimidazol-1-yl)-7H-purine
CID 57430843

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(benzimidazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80841169) is 4-(benzimidazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(benzimidazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(benzimidazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is Nc1nc(-n2cccn2)nc(-n2cnc3ccccc32)n1.
What is the InChIKey of 4-(benzimidazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is IVIBTSCISVUBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N8/c14-11-17-12(19-13(18-11)21-7-3-6-16-21)20-8-15-9-4-1-2-5-10(9)20/h1-8H,(H2,14,17,18,19).
What are the key properties of 4-(benzimidazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-(benzimidazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 278.28 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80841169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).