1-[4-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]benzimidazol-2-amine

C15H12N8 — CID 23535624

IUPAC1-[4-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]benzimidazol-2-amine
SMILESNc1nc2ccccc2n1-c1ncnc(Nc2ccccn2)n1
InChIInChI=1S/C15H12N8/c16-13-20-10-5-1-2-6-11(10)23(13)15-19-9-18-14(22-15)21-12-7-3-4-8-17-12/h1-9H,(H2,16,20)(H,17,18,19,21,22)
InChIKeyLTKSYIZSWOGNDU-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.93
Rot. Bonds3

About 1-[4-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]benzimidazol-2-amine

1-[4-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]benzimidazol-2-amine (PubChem CID 23535624) has the molecular formula C15H12N8 and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-[4-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[4-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]benzimidazol-2-amine
PubChem CID23535624
Molecular FormulaC15H12N8
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name1-[4-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]benzimidazol-2-amine
SMILESNc1nc2ccccc2n1-c1ncnc(Nc2ccccn2)n1
InChIInChI=1S/C15H12N8/c16-13-20-10-5-1-2-6-11(10)23(13)15-19-9-18-14(22-15)21-12-7-3-4-8-17-12/h1-9H,(H2,16,20)(H,17,18,19,21,22)
InChIKeyLTKSYIZSWOGNDU-UHFFFAOYSA-N
XLogP1.93
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(4-ethylanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine
CID 23535674
2-N-pyridin-2-yl-1,3,5-triazine-2,4-diamine
CID 15184533
5-[[4-(2-aminobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methoxyphenol
CID 23536130
4-N,6-N-dipyridin-2-ylpyrimidine-4,5,6-triamine
CID 19146945
3-[[1-[4-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]benzimidazol-2-yl]amino]phenol
CID 54584039
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
2-[3-[[4-(2-chlorobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 22496137
6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19146951
7-(benzotriazol-1-yl)-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 110455128
3-[4-(3-aminoanilino)-1,3,5-triazin-2-yl]-1H-benzimidazol-2-one
CID 89274868
N-(4-methylphenyl)-1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine
CID 23536773
1-(1H-indol-7-yl)benzimidazol-2-amine
CID 164628977

Frequently Asked Questions

What is the IUPAC name of 1-[4-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]benzimidazol-2-amine?
The IUPAC name of 1-[4-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]benzimidazol-2-amine (CID 23535624) is 1-[4-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]benzimidazol-2-amine.
What is the SMILES notation for 1-[4-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]benzimidazol-2-amine?
The canonical SMILES for 1-[4-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]benzimidazol-2-amine is Nc1nc2ccccc2n1-c1ncnc(Nc2ccccn2)n1.
What is the InChIKey of 1-[4-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]benzimidazol-2-amine?
The InChIKey is LTKSYIZSWOGNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N8/c16-13-20-10-5-1-2-6-11(10)23(13)15-19-9-18-14(22-15)21-12-7-3-4-8-17-12/h1-9H,(H2,16,20)(H,17,18,19,21,22).
What are the key properties of 1-[4-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]benzimidazol-2-amine?
1-[4-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]benzimidazol-2-amine has a molecular weight of 304.32 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]benzimidazol-2-amine is sourced from PubChem (CID 23535624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).