N-[2-(3-methylimidazol-4-yl)ethyl]-1-phenyl-1,2,4-triazole-3-carboxamide

C15H16N6O — CID 75455855

IUPACN-[2-(3-methylimidazol-4-yl)ethyl]-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCn1cncc1CCNC(=O)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C15H16N6O/c1-20-10-16-9-13(20)7-8-17-15(22)14-18-11-21(19-14)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,17,22)
InChIKeyYBSFGNGWQUWIPW-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.97
Rot. Bonds5

About N-[2-(3-methylimidazol-4-yl)ethyl]-1-phenyl-1,2,4-triazole-3-carboxamide

N-[2-(3-methylimidazol-4-yl)ethyl]-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 75455855) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[2-(3-methylimidazol-4-yl)ethyl]-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylimidazol-4-yl)ethyl]-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID75455855
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC NameN-[2-(3-methylimidazol-4-yl)ethyl]-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCn1cncc1CCNC(=O)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C15H16N6O/c1-20-10-16-9-13(20)7-8-17-15(22)14-18-11-21(19-14)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,17,22)
InChIKeyYBSFGNGWQUWIPW-UHFFFAOYSA-N
XLogP0.97
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methylimidazol-4-yl)ethylurea
CID 141391466
N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692504
N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 139472699
3-methyl-4-[(1-phenyl-1,2,4-triazole-3-carbonyl)amino]butanoic acid
CID 120536966
N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 75437860
5-hydroxy-2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]benzamide
CID 154735511
1-(3-methylphenyl)-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide
CID 42692695
N-[2-(2-methoxyethyl)phenyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 166217474
N-cyclohexyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42880791
N-benzyl-1-(4-chlorophenyl)-1,2,4-triazole-3-carboxamide
CID 15944303
2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]quinoline-6-carboxamide
CID 86798644
1-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-carboxamide
CID 136519436

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylimidazol-4-yl)ethyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[2-(3-methylimidazol-4-yl)ethyl]-1-phenyl-1,2,4-triazole-3-carboxamide (CID 75455855) is N-[2-(3-methylimidazol-4-yl)ethyl]-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[2-(3-methylimidazol-4-yl)ethyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[2-(3-methylimidazol-4-yl)ethyl]-1-phenyl-1,2,4-triazole-3-carboxamide is Cn1cncc1CCNC(=O)c1ncn(-c2ccccc2)n1.
What is the InChIKey of N-[2-(3-methylimidazol-4-yl)ethyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is YBSFGNGWQUWIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-20-10-16-9-13(20)7-8-17-15(22)14-18-11-21(19-14)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,17,22).
What are the key properties of N-[2-(3-methylimidazol-4-yl)ethyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
N-[2-(3-methylimidazol-4-yl)ethyl]-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylimidazol-4-yl)ethyl]-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 75455855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).