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

C12H14N4O — CID 82730025

IUPAC1-(3-ethyl-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
SMILESCCc1cccnc1C(=O)Cc1ncnn1C
InChIInChI=1S/C12H14N4O/c1-3-9-5-4-6-13-12(9)10(17)7-11-14-8-15-16(11)2/h4-6,8H,3,7H2,1-2H3
InChIKeyLLRVVKIZWGHTQC-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.20
Rot. Bonds4

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

1-(3-ethyl-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone (PubChem CID 82730025) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(3-ethyl-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethyl-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
PubChem CID82730025
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-(3-ethyl-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
SMILESCCc1cccnc1C(=O)Cc1ncnn1C
InChIInChI=1S/C12H14N4O/c1-3-9-5-4-6-13-12(9)10(17)7-11-14-8-15-16(11)2/h4-6,8H,3,7H2,1-2H3
InChIKeyLLRVVKIZWGHTQC-UHFFFAOYSA-N
XLogP1.20
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethyl-2-pyridinyl)-4,4-dimethylpentan-1-one
CID 82730843
1-(4-methyl-3-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 114877397
4-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)hex-3-en-2-one
CID 103458861
1-(3-ethyl-2-pyridinyl)octan-1-one
CID 82730570
1-(3-ethyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone
CID 82730236
acetic acid;3-ethylpyridine-2-carboxylic acid
CID 118035690
1-(3-ethyl-2-pyridinyl)-2-methylpropan-1-one
CID 82730826
2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenol
CID 115017760
2-(2-chloro-3-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
CID 112653415
1-(3-methylsulfonylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 114979939
3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
CID 114980061
1-[4-(2-aminoethyl)phenyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 116577742

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone?
The IUPAC name of 1-(3-ethyl-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone (CID 82730025) is 1-(3-ethyl-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone.
What is the SMILES notation for 1-(3-ethyl-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone?
The canonical SMILES for 1-(3-ethyl-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone is CCc1cccnc1C(=O)Cc1ncnn1C.
What is the InChIKey of 1-(3-ethyl-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone?
The InChIKey is LLRVVKIZWGHTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-3-9-5-4-6-13-12(9)10(17)7-11-14-8-15-16(11)2/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 1-(3-ethyl-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone?
1-(3-ethyl-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone has a molecular weight of 230.27 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone is sourced from PubChem (CID 82730025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).