4-(4-propan-2-yltriazol-1-yl)-2-pyridin-2-yl-1H-pyrazol-3-one

C13H14N6O — CID 59603633

IUPAC4-(4-propan-2-yltriazol-1-yl)-2-pyridin-2-yl-1H-pyrazol-3-one
SMILESCC(C)c1cn(-c2c[nH]n(-c3ccccn3)c2=O)nn1
InChIInChI=1S/C13H14N6O/c1-9(2)10-8-18(17-16-10)11-7-15-19(13(11)20)12-5-3-4-6-14-12/h3-9,15H,1-2H3
InChIKeyWBDOJFDADZUYCS-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.26
Rot. Bonds3

About 4-(4-propan-2-yltriazol-1-yl)-2-pyridin-2-yl-1H-pyrazol-3-one

4-(4-propan-2-yltriazol-1-yl)-2-pyridin-2-yl-1H-pyrazol-3-one (PubChem CID 59603633) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 4-(4-propan-2-yltriazol-1-yl)-2-pyridin-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-(4-propan-2-yltriazol-1-yl)-2-pyridin-2-yl-1H-pyrazol-3-one
PubChem CID59603633
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name4-(4-propan-2-yltriazol-1-yl)-2-pyridin-2-yl-1H-pyrazol-3-one
SMILESCC(C)c1cn(-c2c[nH]n(-c3ccccn3)c2=O)nn1
InChIInChI=1S/C13H14N6O/c1-9(2)10-8-18(17-16-10)11-7-15-19(13(11)20)12-5-3-4-6-14-12/h3-9,15H,1-2H3
InChIKeyWBDOJFDADZUYCS-UHFFFAOYSA-N
XLogP1.26
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-yltriazol-1-yl)-2-pyridin-2-yl-1H-pyrazol-3-one?
The IUPAC name of 4-(4-propan-2-yltriazol-1-yl)-2-pyridin-2-yl-1H-pyrazol-3-one (CID 59603633) is 4-(4-propan-2-yltriazol-1-yl)-2-pyridin-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 4-(4-propan-2-yltriazol-1-yl)-2-pyridin-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 4-(4-propan-2-yltriazol-1-yl)-2-pyridin-2-yl-1H-pyrazol-3-one is CC(C)c1cn(-c2c[nH]n(-c3ccccn3)c2=O)nn1.
What is the InChIKey of 4-(4-propan-2-yltriazol-1-yl)-2-pyridin-2-yl-1H-pyrazol-3-one?
The InChIKey is WBDOJFDADZUYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-9(2)10-8-18(17-16-10)11-7-15-19(13(11)20)12-5-3-4-6-14-12/h3-9,15H,1-2H3.
What are the key properties of 4-(4-propan-2-yltriazol-1-yl)-2-pyridin-2-yl-1H-pyrazol-3-one?
4-(4-propan-2-yltriazol-1-yl)-2-pyridin-2-yl-1H-pyrazol-3-one has a molecular weight of 270.30 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-yltriazol-1-yl)-2-pyridin-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 59603633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).