2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide

C9H9N5O — CID 11264149

IUPAC2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESNC(=O)Cc1nc(-c2ccncc2)n[nH]1
InChIInChI=1S/C9H9N5O/c10-7(15)5-8-12-9(14-13-8)6-1-3-11-4-2-6/h1-4H,5H2,(H2,10,15)(H,12,13,14)
InChIKeyPMIPZBGWIFKZQP-UHFFFAOYSA-N
MW203.21 g/mol
LogP-0.11
Rot. Bonds3

About 2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide

2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 11264149) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is 2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID11264149
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESNC(=O)Cc1nc(-c2ccncc2)n[nH]1
InChIInChI=1S/C9H9N5O/c10-7(15)5-8-12-9(14-13-8)6-1-3-11-4-2-6/h1-4H,5H2,(H2,10,15)(H,12,13,14)
InChIKeyPMIPZBGWIFKZQP-UHFFFAOYSA-N
XLogP-0.11
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 82569633
N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 69317898
N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine;dihydrochloride
CID 162335175
tert-butyl N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]carbamate
CID 71124077
N-(2-pyridin-2-ylethyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 71694697
N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazole-2-carboxamide
CID 25106890
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 91776454
2-(3-methyl-1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 91760353
1-(2-methylbutyl)-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]urea
CID 155951877
5-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide
CID 46958783
2-(2,5-dimethoxyphenyl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 16672587
trans-(1S,3S)-3-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]cyclohexane-1-carboxamide
CID 91776859

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide (CID 11264149) is 2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide is NC(=O)Cc1nc(-c2ccncc2)n[nH]1.
What is the InChIKey of 2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is PMIPZBGWIFKZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c10-7(15)5-8-12-9(14-13-8)6-1-3-11-4-2-6/h1-4H,5H2,(H2,10,15)(H,12,13,14).
What are the key properties of 2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide?
2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 203.21 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 11264149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).