5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C18H18N6O — CID 31105094

IUPAC5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(Cc3c(C)nn(-c4ccccc4)c3C)cc(=O)n2[nH]1
InChIInChI=1S/C18H18N6O/c1-11-16(12(2)23(21-11)15-7-5-4-6-8-15)9-14-10-17(25)24-18(20-14)19-13(3)22-24/h4-8,10H,9H2,1-3H3,(H,19,20,22)
InChIKeyXGNWVKFDEYOEPO-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.12
Rot. Bonds3

About 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 31105094) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID31105094
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(Cc3c(C)nn(-c4ccccc4)c3C)cc(=O)n2[nH]1
InChIInChI=1S/C18H18N6O/c1-11-16(12(2)23(21-11)15-7-5-4-6-8-15)9-14-10-17(25)24-18(20-14)19-13(3)22-24/h4-8,10H,9H2,1-3H3,(H,19,20,22)
InChIKeyXGNWVKFDEYOEPO-UHFFFAOYSA-N
XLogP2.12
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 31105094) is 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2nc(Cc3c(C)nn(-c4ccccc4)c3C)cc(=O)n2[nH]1.
What is the InChIKey of 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is XGNWVKFDEYOEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-11-16(12(2)23(21-11)15-7-5-4-6-8-15)9-14-10-17(25)24-18(20-14)19-13(3)22-24/h4-8,10H,9H2,1-3H3,(H,19,20,22).
What are the key properties of 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 334.38 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 31105094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).