2-(4-acetamidotriazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide

C9H11N7O2 — CID 112525060

IUPAC2-(4-acetamidotriazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide
SMILESCC(=O)Nc1cn(CC(=O)Nc2cn[nH]c2)nn1
InChIInChI=1S/C9H11N7O2/c1-6(17)12-8-4-16(15-14-8)5-9(18)13-7-2-10-11-3-7/h2-4H,5H2,1H3,(H,10,11)(H,12,17)(H,13,18)
InChIKeyQCYFLIMKXACEOI-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.40
Rot. Bonds4

About 2-(4-acetamidotriazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide

2-(4-acetamidotriazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide (PubChem CID 112525060) has the molecular formula C9H11N7O2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-(4-acetamidotriazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidotriazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide
PubChem CID112525060
Molecular FormulaC9H11N7O2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name2-(4-acetamidotriazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide
SMILESCC(=O)Nc1cn(CC(=O)Nc2cn[nH]c2)nn1
InChIInChI=1S/C9H11N7O2/c1-6(17)12-8-4-16(15-14-8)5-9(18)13-7-2-10-11-3-7/h2-4H,5H2,1H3,(H,10,11)(H,12,17)(H,13,18)
InChIKeyQCYFLIMKXACEOI-UHFFFAOYSA-N
XLogP-0.40
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]triazole-4-carboxylic acid
CID 66290982
2-(4-acetamidotriazol-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide
CID 112521770
2-(4-acetamidotriazol-1-yl)-N-pyridin-3-ylacetamide
CID 112524098
2-(4-acetamidotriazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 112521508
2-(4-acetamidotriazol-1-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 112525274
2-hydroxy-N-(1H-pyrazol-4-yl)acetamide
CID 83815139
2-(4-acetamidotriazol-1-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide
CID 112525667
2-(4-acetamidotriazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 112525936
ethyl N-[1-[2-[(2-methylpyrimidin-5-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112524242
methyl 1-[2-(4-acetamidoanilino)-2-oxoethyl]triazole-4-carboxylate
CID 122241471
methyl N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112525385
methyl N-[1-[2-(4-chloroanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112521038

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidotriazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-(4-acetamidotriazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide (CID 112525060) is 2-(4-acetamidotriazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-acetamidotriazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-(4-acetamidotriazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide is CC(=O)Nc1cn(CC(=O)Nc2cn[nH]c2)nn1.
What is the InChIKey of 2-(4-acetamidotriazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide?
The InChIKey is QCYFLIMKXACEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N7O2/c1-6(17)12-8-4-16(15-14-8)5-9(18)13-7-2-10-11-3-7/h2-4H,5H2,1H3,(H,10,11)(H,12,17)(H,13,18).
What are the key properties of 2-(4-acetamidotriazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide?
2-(4-acetamidotriazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide has a molecular weight of 249.23 g/mol, XLogP of -0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidotriazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 112525060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).