1-(4-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylethanone

C10H10N4O — CID 131165502

IUPAC1-(4-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylethanone
SMILESCn1cnnc1C(=O)Cc1ccccn1
InChIInChI=1S/C10H10N4O/c1-14-7-12-13-10(14)9(15)6-8-4-2-3-5-11-8/h2-5,7H,6H2,1H3
InChIKeyWFSHSHCXXHWRKI-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.64
Rot. Bonds3

About 1-(4-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylethanone

1-(4-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylethanone (PubChem CID 131165502) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 1-(4-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(4-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylethanone
PubChem CID131165502
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name1-(4-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylethanone
SMILESCn1cnnc1C(=O)Cc1ccccn1
InChIInChI=1S/C10H10N4O/c1-14-7-12-13-10(14)9(15)6-8-4-2-3-5-11-8/h2-5,7H,6H2,1H3
InChIKeyWFSHSHCXXHWRKI-UHFFFAOYSA-N
XLogP0.64
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-2-pyridin-2-ylethanone;hydrochloride
CID 22758250
1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone
CID 106671158
molecular hydrogen;2-pyridin-2-ylacetamide
CID 145224814
CID 131857449
CID 131857449
methane;3-methyl-1-pyridin-2-ylbutan-2-one
CID 159764567
1-(2-iodophenyl)-2-pyridin-2-ylethanone
CID 43118474
1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone
CID 116613912
1-(4-ethylthiadiazol-5-yl)-2-pyridin-2-ylethanone
CID 105108103
2-pyridin-2-yl-1-(2,4,5-trimethylfuran-3-yl)ethanone
CID 65152808
1-(1-methylimidazol-2-yl)-2-(5-pyridin-2-ylpyrazin-2-yl)ethanone
CID 158569357
1-(4-methyl-1,2,4-triazol-3-yl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 62118649
2-[2-(3-tert-butyl-1,2,4-triazol-4-yl)ethyl]pyridine
CID 129175051

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylethanone (CID 131165502) is 1-(4-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(4-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(4-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylethanone is Cn1cnnc1C(=O)Cc1ccccn1.
What is the InChIKey of 1-(4-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylethanone?
The InChIKey is WFSHSHCXXHWRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-14-7-12-13-10(14)9(15)6-8-4-2-3-5-11-8/h2-5,7H,6H2,1H3.
What are the key properties of 1-(4-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylethanone?
1-(4-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylethanone has a molecular weight of 202.22 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 131165502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).