2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one

C9H10N4O — CID 126953697

IUPAC2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one
SMILESCn1nc(-c2cccnc2)n(C)c1=O
InChIInChI=1S/C9H10N4O/c1-12-8(11-13(2)9(12)14)7-4-3-5-10-6-7/h3-6H,1-2H3
InChIKeyWPKHCTHKJNFYDL-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.18
Rot. Bonds1

About 2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one

2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one (PubChem CID 126953697) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one
PubChem CID126953697
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one
SMILESCn1nc(-c2cccnc2)n(C)c1=O
InChIInChI=1S/C9H10N4O/c1-12-8(11-13(2)9(12)14)7-4-3-5-10-6-7/h3-6H,1-2H3
InChIKeyWPKHCTHKJNFYDL-UHFFFAOYSA-N
XLogP0.18
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

3-[1-[2-(dimethylsulfamoylamino)ethyl]-4-methyl-5-oxo-1,2,4-triazol-3-yl]pyridine
CID 121077991
2-fluoro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide
CID 121078971
N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide
CID 121078990
1-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 121078344
N-[4-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide
CID 121077953
2-methyl-4-pyridin-3-ylphthalazin-1-one
CID 10060065
5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 121078976
5-chloro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 121077958
2,5-dimethyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]furan-3-carboxamide
CID 121079039
3-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)pyridine
CID 18726700
3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine
CID 83728159
3-(2,3-dimethylimidazol-4-yl)pyridine
CID 44549702

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one?
The IUPAC name of 2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one (CID 126953697) is 2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one.
What is the SMILES notation for 2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one?
The canonical SMILES for 2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one is Cn1nc(-c2cccnc2)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one?
The InChIKey is WPKHCTHKJNFYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-12-8(11-13(2)9(12)14)7-4-3-5-10-6-7/h3-6H,1-2H3.
What are the key properties of 2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one?
2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one has a molecular weight of 190.21 g/mol, XLogP of 0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one is sourced from PubChem (CID 126953697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).