2,5-dimethyl-6-[(4-propan-2-ylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C17H20N4O — CID 6485736

IUPAC2,5-dimethyl-6-[(4-propan-2-ylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(C)c(Cc3ccc(C(C)C)cc3)c(=O)n2[nH]1
InChIInChI=1S/C17H20N4O/c1-10(2)14-7-5-13(6-8-14)9-15-11(3)18-17-19-12(4)20-21(17)16(15)22/h5-8,10H,9H2,1-4H3,(H,18,19,20)
InChIKeyIMGIZGNHESANPX-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.75
Rot. Bonds3

About 2,5-dimethyl-6-[(4-propan-2-ylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2,5-dimethyl-6-[(4-propan-2-ylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 6485736) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2,5-dimethyl-6-[(4-propan-2-ylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2,5-dimethyl-6-[(4-propan-2-ylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID6485736
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2,5-dimethyl-6-[(4-propan-2-ylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(C)c(Cc3ccc(C(C)C)cc3)c(=O)n2[nH]1
InChIInChI=1S/C17H20N4O/c1-10(2)14-7-5-13(6-8-14)9-15-11(3)18-17-19-12(4)20-21(17)16(15)22/h5-8,10H,9H2,1-4H3,(H,18,19,20)
InChIKeyIMGIZGNHESANPX-UHFFFAOYSA-N
XLogP2.75
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,5-dimethyl-6-[(4-propan-2-ylphenyl)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

Related Compounds

2-amino-5-cyclopropyl-6-[(3-iodophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155562719
2-{[4-(propan-2-yl)benzyl]amino}-3,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
CID 2027973
2-phenethyl-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
CID 935179
Essramycin
CID 24829329
2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9(4H)-one
CID 666416
2-benzyl-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 935434
6-benzyl-5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1264955
6-benzyl-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1830568
6-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 6462251
2,5-dimethyl-6-(4-methylbenzyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 16457431
2-(5-benzyl-4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)-1,2,4,5,6,7-hexahydro-3H-indazol-3-one
CID 135501733
2-amino-5-cyclopropyl-6-[(2-methylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155518928

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-[(4-propan-2-ylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2,5-dimethyl-6-[(4-propan-2-ylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 6485736) is 2,5-dimethyl-6-[(4-propan-2-ylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2,5-dimethyl-6-[(4-propan-2-ylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2,5-dimethyl-6-[(4-propan-2-ylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2nc(C)c(Cc3ccc(C(C)C)cc3)c(=O)n2[nH]1.
What is the InChIKey of 2,5-dimethyl-6-[(4-propan-2-ylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is IMGIZGNHESANPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-10(2)14-7-5-13(6-8-14)9-15-11(3)18-17-19-12(4)20-21(17)16(15)22/h5-8,10H,9H2,1-4H3,(H,18,19,20).
What are the key properties of 2,5-dimethyl-6-[(4-propan-2-ylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2,5-dimethyl-6-[(4-propan-2-ylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 296.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-[(4-propan-2-ylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 6485736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).