1-(4-methyl-3-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone

C11H12N4O — CID 114877397

IUPAC1-(4-methyl-3-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
SMILESCc1ccncc1C(=O)Cc1ncnn1C
InChIInChI=1S/C11H12N4O/c1-8-3-4-12-6-9(8)10(16)5-11-13-7-14-15(11)2/h3-4,6-7H,5H2,1-2H3
InChIKeySLIBILNOUXYJSB-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.94
Rot. Bonds3

About 1-(4-methyl-3-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone

1-(4-methyl-3-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone (PubChem CID 114877397) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(4-methyl-3-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-3-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
PubChem CID114877397
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name1-(4-methyl-3-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
SMILESCc1ccncc1C(=O)Cc1ncnn1C
InChIInChI=1S/C11H12N4O/c1-8-3-4-12-6-9(8)10(16)5-11-13-7-14-15(11)2/h3-4,6-7H,5H2,1-2H3
InChIKeySLIBILNOUXYJSB-UHFFFAOYSA-N
XLogP0.94
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methyl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105113419
2-bromo-1-(4-methyl-3-pyridinyl)ethanone;hydrochloride
CID 86636889
2-(1-methylpyrazol-3-yl)-1-(4-methyl-3-pyridinyl)ethanone
CID 114877704
1-(3-ethyl-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 82730025
1-(4-methyl-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 105113394
1-(2-amino-4-bromophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 116591896
1-(2,5-dimethylpyrazol-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 105109337
1-(3-chloro-4-pyridinyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanone
CID 105111538
1-(2,5-dibromothiophen-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 107967649
2-(dimethylamino)-1-(4-methyl-3-pyridinyl)ethanone
CID 79078017
1-(4-chloro-2-methoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 114979928
1-(4-methyl-3-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114877690

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone?
The IUPAC name of 1-(4-methyl-3-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone (CID 114877397) is 1-(4-methyl-3-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-3-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone?
The canonical SMILES for 1-(4-methyl-3-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone is Cc1ccncc1C(=O)Cc1ncnn1C.
What is the InChIKey of 1-(4-methyl-3-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone?
The InChIKey is SLIBILNOUXYJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8-3-4-12-6-9(8)10(16)5-11-13-7-14-15(11)2/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 1-(4-methyl-3-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone?
1-(4-methyl-3-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone has a molecular weight of 216.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone is sourced from PubChem (CID 114877397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).