5,7-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide

C16H20N6O2 — CID 131925027

IUPAC5,7-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2c(C(=O)NCc3cc(CC(C)C)no3)nnc2n1
InChIInChI=1S/C16H20N6O2/c1-9(2)5-12-7-13(24-21-12)8-17-15(23)14-19-20-16-18-10(3)6-11(4)22(14)16/h6-7,9H,5,8H2,1-4H3,(H,17,23)
InChIKeyIEJGZOULUPITQS-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.86
Rot. Bonds5

About 5,7-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide

5,7-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide (PubChem CID 131925027) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 5,7-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
PubChem CID131925027
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name5,7-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2c(C(=O)NCc3cc(CC(C)C)no3)nnc2n1
InChIInChI=1S/C16H20N6O2/c1-9(2)5-12-7-13(24-21-12)8-17-15(23)14-19-20-16-18-10(3)6-11(4)22(14)16/h6-7,9H,5,8H2,1-4H3,(H,17,23)
InChIKeyIEJGZOULUPITQS-UHFFFAOYSA-N
XLogP1.86
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,7-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide 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 5,7-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
The IUPAC name of 5,7-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide (CID 131925027) is 5,7-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide is Cc1cc(C)n2c(C(=O)NCc3cc(CC(C)C)no3)nnc2n1.
What is the InChIKey of 5,7-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
The InChIKey is IEJGZOULUPITQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-9(2)5-12-7-13(24-21-12)8-17-15(23)14-19-20-16-18-10(3)6-11(4)22(14)16/h6-7,9H,5,8H2,1-4H3,(H,17,23).
What are the key properties of 5,7-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
5,7-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 131925027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).