1-[1-(2-methylpyrimidin-5-yl)triazol-4-yl]ethanone

C9H9N5O — CID 130948569

IUPAC1-[1-(2-methylpyrimidin-5-yl)triazol-4-yl]ethanone
SMILESCC(=O)c1cn(-c2cnc(C)nc2)nn1
InChIInChI=1S/C9H9N5O/c1-6(15)9-5-14(13-12-9)8-3-10-7(2)11-4-8/h3-5H,1-2H3
InChIKeyOOOGCUHGWKIBPN-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.57
Rot. Bonds2

About 1-[1-(2-methylpyrimidin-5-yl)triazol-4-yl]ethanone

1-[1-(2-methylpyrimidin-5-yl)triazol-4-yl]ethanone (PubChem CID 130948569) has the molecular formula C9H9N5O and a molecular weight of 203.20 g/mol. Its IUPAC name is 1-[1-(2-methylpyrimidin-5-yl)triazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-methylpyrimidin-5-yl)triazol-4-yl]ethanone
PubChem CID130948569
Molecular FormulaC9H9N5O
Molecular Weight203.20 g/mol
Exact Mass203.08
IUPAC Name1-[1-(2-methylpyrimidin-5-yl)triazol-4-yl]ethanone
SMILESCC(=O)c1cn(-c2cnc(C)nc2)nn1
InChIInChI=1S/C9H9N5O/c1-6(15)9-5-14(13-12-9)8-3-10-7(2)11-4-8/h3-5H,1-2H3
InChIKeyOOOGCUHGWKIBPN-UHFFFAOYSA-N
XLogP0.57
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-acetyltriazol-1-yl)benzonitrile
CID 135038947
ethane;1-(1-methyltriazol-4-yl)ethanone
CID 142493960
1-(4-methylphenyl)triazole-4-carbonyl chloride
CID 71320958
1-(3-bromo-5-methylphenyl)triazole-4-carboxylic acid
CID 107584177
1-[1-(2-bromo-6-fluorophenyl)triazol-4-yl]ethanone
CID 165469671
1-(4-butoxyphenyl)triazole-4-carboxylic acid
CID 82201477
1-[1-(2-fluoroethyl)triazol-4-yl]ethanone
CID 126982419
1-(4-ethylphenyl)triazole-4-carbonyl chloride
CID 91895179
dimethyl 5-(4-methoxycarbonyltriazol-1-yl)benzene-1,3-dicarboxylate
CID 122241480
1-(4-methoxyphenyl)triazole-4-carboxylic acid
CID 10513054
1-[1-(3,4-dimethylphenyl)triazol-4-yl]-2,2,2-trifluoroethanone
CID 62580153
(2R)-1-[1-(4-acetylphenyl)triazol-4-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 40556189

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpyrimidin-5-yl)triazol-4-yl]ethanone?
The IUPAC name of 1-[1-(2-methylpyrimidin-5-yl)triazol-4-yl]ethanone (CID 130948569) is 1-[1-(2-methylpyrimidin-5-yl)triazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-(2-methylpyrimidin-5-yl)triazol-4-yl]ethanone?
The canonical SMILES for 1-[1-(2-methylpyrimidin-5-yl)triazol-4-yl]ethanone is CC(=O)c1cn(-c2cnc(C)nc2)nn1.
What is the InChIKey of 1-[1-(2-methylpyrimidin-5-yl)triazol-4-yl]ethanone?
The InChIKey is OOOGCUHGWKIBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c1-6(15)9-5-14(13-12-9)8-3-10-7(2)11-4-8/h3-5H,1-2H3.
What are the key properties of 1-[1-(2-methylpyrimidin-5-yl)triazol-4-yl]ethanone?
1-[1-(2-methylpyrimidin-5-yl)triazol-4-yl]ethanone has a molecular weight of 203.20 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpyrimidin-5-yl)triazol-4-yl]ethanone is sourced from PubChem (CID 130948569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).