1-[3-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]ethanone

C9H11N5O — CID 130566886

IUPAC1-[3-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]ethanone
SMILESCC(=O)c1cnnn1Cc1ccn(C)n1
InChIInChI=1S/C9H11N5O/c1-7(15)9-5-10-12-14(9)6-8-3-4-13(2)11-8/h3-5H,6H2,1-2H3
InChIKeyUPKBNCZMGNISMO-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.26
Rot. Bonds3

About 1-[3-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]ethanone

1-[3-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]ethanone (PubChem CID 130566886) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-[3-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]ethanone
PubChem CID130566886
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name1-[3-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]ethanone
SMILESCC(=O)c1cnnn1Cc1ccn(C)n1
InChIInChI=1S/C9H11N5O/c1-7(15)9-5-10-12-14(9)6-8-3-4-13(2)11-8/h3-5H,6H2,1-2H3
InChIKeyUPKBNCZMGNISMO-UHFFFAOYSA-N
XLogP0.26
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[(2-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanone
CID 130825741
1-[3-[(5-bromofuran-2-yl)methyl]triazol-4-yl]ethanone
CID 130566909
ethane;1-[3-(2-hydroxyethyl)triazol-4-yl]ethanone
CID 166119301
ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate
CID 90351376
ethyl 1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
CID 105422066
6-amino-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one
CID 116788287
methyl 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate
CID 82869496
1-methyl-3-(pyrrol-1-ylmethyl)pyrazole
CID 82872029
3-ethyl-1-(1-methylpyrazol-3-yl)pentan-2-one
CID 115793089
methyl 4-amino-1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
CID 82866397
2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 82868707
5-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyrrole-3-carboxylic acid
CID 82869902

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]ethanone?
The IUPAC name of 1-[3-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]ethanone (CID 130566886) is 1-[3-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]ethanone?
The canonical SMILES for 1-[3-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]ethanone is CC(=O)c1cnnn1Cc1ccn(C)n1.
What is the InChIKey of 1-[3-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]ethanone?
The InChIKey is UPKBNCZMGNISMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-7(15)9-5-10-12-14(9)6-8-3-4-13(2)11-8/h3-5H,6H2,1-2H3.
What are the key properties of 1-[3-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]ethanone?
1-[3-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]ethanone has a molecular weight of 205.22 g/mol, XLogP of 0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]ethanone is sourced from PubChem (CID 130566886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).