3-methyl-1-[2-(triazol-1-yl)ethylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile

C17H15N7 — CID 133449504

IUPAC3-methyl-1-[2-(triazol-1-yl)ethylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(NCCn2ccnn2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C17H15N7/c1-12-10-16(19-6-8-23-9-7-20-22-23)24-15-5-3-2-4-14(15)21-17(24)13(12)11-18/h2-5,7,9-10,19H,6,8H2,1H3
InChIKeyPFMNDRNEHHDGTE-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.37
Rot. Bonds4

About 3-methyl-1-[2-(triazol-1-yl)ethylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile

3-methyl-1-[2-(triazol-1-yl)ethylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 133449504) has the molecular formula C17H15N7 and a molecular weight of 317.36 g/mol. Its IUPAC name is 3-methyl-1-[2-(triazol-1-yl)ethylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-[2-(triazol-1-yl)ethylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID133449504
Molecular FormulaC17H15N7
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name3-methyl-1-[2-(triazol-1-yl)ethylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(NCCn2ccnn2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C17H15N7/c1-12-10-16(19-6-8-23-9-7-20-22-23)24-15-5-3-2-4-14(15)21-17(24)13(12)11-18/h2-5,7,9-10,19H,6,8H2,1H3
InChIKeyPFMNDRNEHHDGTE-UHFFFAOYSA-N
XLogP2.37
TPSA83.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methyl-1-[2-(triazol-1-yl)ethylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile 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

1-(butylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3112193
2-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]ethyl-dimethylazanium
CID 4086177
3-methyl-1-(2-morpholin-4-ylethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 743371
1-[2-(diethylamino)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 689389
3-methyl-1-[3-[(R)-methylsulfinyl]propylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 95309621
3-methyl-1-[(5-methyl-2-pyridinyl)methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 166272952
3-methyl-1-(pyridin-1-ium-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 4745158
N-[3-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 60521222
1-(2-hydroxyanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 950637
3-methyl-1-[[(2S)-oxolan-2-yl]methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 706064
3-methyl-1-[(3,4,5-trimethoxyphenyl)methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 33373322
3-methyl-1-[2-(oxolan-2-ylmethoxy)ethylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 133315015

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(triazol-1-yl)ethylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 3-methyl-1-[2-(triazol-1-yl)ethylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile (CID 133449504) is 3-methyl-1-[2-(triazol-1-yl)ethylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 3-methyl-1-[2-(triazol-1-yl)ethylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 3-methyl-1-[2-(triazol-1-yl)ethylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile is Cc1cc(NCCn2ccnn2)n2c(nc3ccccc32)c1C#N.
What is the InChIKey of 3-methyl-1-[2-(triazol-1-yl)ethylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is PFMNDRNEHHDGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7/c1-12-10-16(19-6-8-23-9-7-20-22-23)24-15-5-3-2-4-14(15)21-17(24)13(12)11-18/h2-5,7,9-10,19H,6,8H2,1H3.
What are the key properties of 3-methyl-1-[2-(triazol-1-yl)ethylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile?
3-methyl-1-[2-(triazol-1-yl)ethylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 317.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(triazol-1-yl)ethylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 133449504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).