7-hydroxy-N-(1,2,4-triazin-3-yl)-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide

C15H12N6O2 — CID 70239756

IUPAC7-hydroxy-N-(1,2,4-triazin-3-yl)-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
SMILESO=C(Nc1nccnn1)C1=C(O)CCc2c1nc1ccccn21
InChIInChI=1S/C15H12N6O2/c22-10-5-4-9-13(18-11-3-1-2-8-21(9)11)12(10)14(23)19-15-16-6-7-17-20-15/h1-3,6-8,22H,4-5H2,(H,16,19,20,23)
InChIKeyJRRWWXGPCQSMCB-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.37
Rot. Bonds2

About 7-hydroxy-N-(1,2,4-triazin-3-yl)-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide

7-hydroxy-N-(1,2,4-triazin-3-yl)-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide (PubChem CID 70239756) has the molecular formula C15H12N6O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 7-hydroxy-N-(1,2,4-triazin-3-yl)-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide.

Molecular Properties

Compound Name7-hydroxy-N-(1,2,4-triazin-3-yl)-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
PubChem CID70239756
Molecular FormulaC15H12N6O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC Name7-hydroxy-N-(1,2,4-triazin-3-yl)-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
SMILESO=C(Nc1nccnn1)C1=C(O)CCc2c1nc1ccccn21
InChIInChI=1S/C15H12N6O2/c22-10-5-4-9-13(18-11-3-1-2-8-21(9)11)12(10)14(23)19-15-16-6-7-17-20-15/h1-3,6-8,22H,4-5H2,(H,16,19,20,23)
InChIKeyJRRWWXGPCQSMCB-UHFFFAOYSA-N
XLogP1.37
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(dimethylamino)phenyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
CID 70240552
N-(3,4-dimethoxyphenyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
CID 70236571
N-(3-fluoro-4-pyridinyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
CID 70240540
N-[4-[2-(diethylamino)ethoxy]-3-pyridinyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
CID 70158154
7-hydroxy-N-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride
CID 70159674
3-chloro-7-hydroxy-N-phenyl-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
CID 70084408
2-methoxy-N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
CID 42694050
N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-methoxyacetamide
CID 42694150
N-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 114387729
1-cyclopentyl-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]urea
CID 50847510
4-(methylamino)-N-(1,2,4-triazin-3-yl)quinoline-2-carboxamide
CID 114389478
4-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol
CID 861692

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-(1,2,4-triazin-3-yl)-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide?
The IUPAC name of 7-hydroxy-N-(1,2,4-triazin-3-yl)-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide (CID 70239756) is 7-hydroxy-N-(1,2,4-triazin-3-yl)-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide.
What is the SMILES notation for 7-hydroxy-N-(1,2,4-triazin-3-yl)-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide?
The canonical SMILES for 7-hydroxy-N-(1,2,4-triazin-3-yl)-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide is O=C(Nc1nccnn1)C1=C(O)CCc2c1nc1ccccn21.
What is the InChIKey of 7-hydroxy-N-(1,2,4-triazin-3-yl)-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide?
The InChIKey is JRRWWXGPCQSMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2/c22-10-5-4-9-13(18-11-3-1-2-8-21(9)11)12(10)14(23)19-15-16-6-7-17-20-15/h1-3,6-8,22H,4-5H2,(H,16,19,20,23).
What are the key properties of 7-hydroxy-N-(1,2,4-triazin-3-yl)-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide?
7-hydroxy-N-(1,2,4-triazin-3-yl)-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide has a molecular weight of 308.30 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-(1,2,4-triazin-3-yl)-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide is sourced from PubChem (CID 70239756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).