3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one

C10H12N4O — CID 168934654

IUPAC3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one
SMILESCC(C)c1ncn(-c2ccc[nH]c2=O)n1
InChIInChI=1S/C10H12N4O/c1-7(2)9-12-6-14(13-9)8-4-3-5-11-10(8)15/h3-7H,1-2H3,(H,11,15)
InChIKeyXPIOMXNULIHXMY-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.08
Rot. Bonds2

About 3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one

3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one (PubChem CID 168934654) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one
PubChem CID168934654
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one
SMILESCC(C)c1ncn(-c2ccc[nH]c2=O)n1
InChIInChI=1S/C10H12N4O/c1-7(2)9-12-6-14(13-9)8-4-3-5-11-10(8)15/h3-7H,1-2H3,(H,11,15)
InChIKeyXPIOMXNULIHXMY-UHFFFAOYSA-N
XLogP1.08
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one?
The IUPAC name of 3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one (CID 168934654) is 3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one is CC(C)c1ncn(-c2ccc[nH]c2=O)n1.
What is the InChIKey of 3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one?
The InChIKey is XPIOMXNULIHXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7(2)9-12-6-14(13-9)8-4-3-5-11-10(8)15/h3-7H,1-2H3,(H,11,15).
What are the key properties of 3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one?
3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one has a molecular weight of 204.23 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one is sourced from PubChem (CID 168934654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).