2-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide

C15H17N7O — CID 131925368

IUPAC2-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
SMILESCc1nccn1C(C)C(=O)NCc1nc(-c2ccncc2)n[nH]1
InChIInChI=1S/C15H17N7O/c1-10(22-8-7-17-11(22)2)15(23)18-9-13-19-14(21-20-13)12-3-5-16-6-4-12/h3-8,10H,9H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyPLEHATXJZQBODE-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.25
Rot. Bonds5

About 2-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide

2-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide (PubChem CID 131925368) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
PubChem CID131925368
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name2-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
SMILESCc1nccn1C(C)C(=O)NCc1nc(-c2ccncc2)n[nH]1
InChIInChI=1S/C15H17N7O/c1-10(22-8-7-17-11(22)2)15(23)18-9-13-19-14(21-20-13)12-3-5-16-6-4-12/h3-8,10H,9H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyPLEHATXJZQBODE-UHFFFAOYSA-N
XLogP1.25
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 119063062
1-(2-methylbutyl)-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]urea
CID 155951877
2-methoxy-2-phenyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 16672586
5-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide
CID 46958783
2-(3,5-dimethylpyrazol-1-yl)-N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide
CID 56827442
2-methyl-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 73440586
tert-butyl N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]carbamate
CID 71124077
(2S)-2-(azepan-1-yl)-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 97218734
N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 69317898
4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 82569633
N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazole-2-carboxamide
CID 25106890
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide
CID 119058465

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide?
The IUPAC name of 2-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide (CID 131925368) is 2-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide is Cc1nccn1C(C)C(=O)NCc1nc(-c2ccncc2)n[nH]1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide?
The InChIKey is PLEHATXJZQBODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-10(22-8-7-17-11(22)2)15(23)18-9-13-19-14(21-20-13)12-3-5-16-6-4-12/h3-8,10H,9H2,1-2H3,(H,18,23)(H,19,20,21).
What are the key properties of 2-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide?
2-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide has a molecular weight of 311.35 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide is sourced from PubChem (CID 131925368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).