1-methyl-5-(1H-1,2,4-triazol-5-yl)pyridin-2-one

C8H8N4O — CID 141127086

IUPAC1-methyl-5-(1H-1,2,4-triazol-5-yl)pyridin-2-one
SMILESCn1cc(-c2ncn[nH]2)ccc1=O
InChIInChI=1S/C8H8N4O/c1-12-4-6(2-3-7(12)13)8-9-5-10-11-8/h2-5H,1H3,(H,9,10,11)
InChIKeyXPFBCVAUILVWGG-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.17
Rot. Bonds1

About 1-methyl-5-(1H-1,2,4-triazol-5-yl)pyridin-2-one

1-methyl-5-(1H-1,2,4-triazol-5-yl)pyridin-2-one (PubChem CID 141127086) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 1-methyl-5-(1H-1,2,4-triazol-5-yl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-(1H-1,2,4-triazol-5-yl)pyridin-2-one
PubChem CID141127086
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name1-methyl-5-(1H-1,2,4-triazol-5-yl)pyridin-2-one
SMILESCn1cc(-c2ncn[nH]2)ccc1=O
InChIInChI=1S/C8H8N4O/c1-12-4-6(2-3-7(12)13)8-9-5-10-11-8/h2-5H,1H3,(H,9,10,11)
InChIKeyXPFBCVAUILVWGG-UHFFFAOYSA-N
XLogP0.17
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]pyridin-2(1H)-one
CID 129609142
5-[3-(2,2-difluoroethylamino)-1H-1,2,4-triazol-5-yl]-1-methylpyridin-2-one
CID 167934453
5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridin-2-one
CID 167938220
5-[3-(2,2,2-trifluoroethylamino)-1H-1,2,4-triazol-5-yl]-1H-pyridin-2-one
CID 167986412
9-methyl-3-(1H-1,2,4-triazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 122547612
3-ethyl-6-methyl-5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
CID 135425120
(Z)-3-[3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,2,4-triazol-1-yl]prop-2-enamide
CID 137482064
(Z)-3-[3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,2,4-triazol-1-yl]prop-2-enehydrazide
CID 137482081
5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
CID 141163087
1-methyl-4-(1H-1,2,4-triazol-5-yl)-2H-pyridine
CID 141395353
1-ethyl-4-(1H-1,2,4-triazol-5-yl)-2H-pyridine
CID 141395362
ethane;(Z)-3-[3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,2,4-triazol-1-yl]prop-2-enehydrazide
CID 144709480

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1H-1,2,4-triazol-5-yl)pyridin-2-one?
The IUPAC name of 1-methyl-5-(1H-1,2,4-triazol-5-yl)pyridin-2-one (CID 141127086) is 1-methyl-5-(1H-1,2,4-triazol-5-yl)pyridin-2-one.
What is the SMILES notation for 1-methyl-5-(1H-1,2,4-triazol-5-yl)pyridin-2-one?
The canonical SMILES for 1-methyl-5-(1H-1,2,4-triazol-5-yl)pyridin-2-one is Cn1cc(-c2ncn[nH]2)ccc1=O.
What is the InChIKey of 1-methyl-5-(1H-1,2,4-triazol-5-yl)pyridin-2-one?
The InChIKey is XPFBCVAUILVWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-12-4-6(2-3-7(12)13)8-9-5-10-11-8/h2-5H,1H3,(H,9,10,11).
What are the key properties of 1-methyl-5-(1H-1,2,4-triazol-5-yl)pyridin-2-one?
1-methyl-5-(1H-1,2,4-triazol-5-yl)pyridin-2-one has a molecular weight of 176.18 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1H-1,2,4-triazol-5-yl)pyridin-2-one is sourced from PubChem (CID 141127086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).