N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C16H15N7O — CID 146045481

IUPACN-[2-(benzimidazol-1-yl)ethyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(CCn1cnc2ccccc21)C(=O)c1nc2ncccn2n1
InChIInChI=1S/C16H15N7O/c1-21(9-10-22-11-18-12-5-2-3-6-13(12)22)15(24)14-19-16-17-7-4-8-23(16)20-14/h2-8,11H,9-10H2,1H3
InChIKeyMZKFSNLEMMRVBK-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.25
Rot. Bonds4

About N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 146045481) has the molecular formula C16H15N7O and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)ethyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID146045481
Molecular FormulaC16H15N7O
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC NameN-[2-(benzimidazol-1-yl)ethyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(CCn1cnc2ccccc21)C(=O)c1nc2ncccn2n1
InChIInChI=1S/C16H15N7O/c1-21(9-10-22-11-18-12-5-2-3-6-13(12)22)15(24)14-19-16-17-7-4-8-23(16)20-14/h2-8,11H,9-10H2,1H3
InChIKeyMZKFSNLEMMRVBK-UHFFFAOYSA-N
XLogP1.25
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46981642
N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 146041516
N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 77078750
N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
CID 146045162
N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 146038100
N-[2-(benzimidazol-1-yl)ethyl]-N,4-dimethyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
CID 171712694
N-(3-aminopropyl)-2-(benzimidazol-1-yl)-N-methylacetamide
CID 43253838
2-N-[2-(benzimidazol-1-yl)ethyl]-2-N-methyl-1,3,4-thiadiazole-2,5-diamine
CID 146043131
2-(benzimidazol-1-ylmethyl)-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide
CID 72859464
N-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315714
N-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 707453
2-(benzimidazol-1-yl)-N-[benzyl(methyl)sulfamoyl]-N-methylethanamine
CID 146040289

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 146045481) is N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CN(CCn1cnc2ccccc21)C(=O)c1nc2ncccn2n1.
What is the InChIKey of N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is MZKFSNLEMMRVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O/c1-21(9-10-22-11-18-12-5-2-3-6-13(12)22)15(24)14-19-16-17-7-4-8-23(16)20-14/h2-8,11H,9-10H2,1H3.
What are the key properties of N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 146045481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).