N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H14F2N6O — CID 138019670

IUPACN-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(NCc2cc(C(F)F)on2)n2ncnc2n1
InChIInChI=1S/C13H14F2N6O/c1-7(2)9-4-11(21-13(19-9)17-6-18-21)16-5-8-3-10(12(14)15)22-20-8/h3-4,6-7,12,16H,5H2,1-2H3
InChIKeyPZHVWDQMJWJEFQ-UHFFFAOYSA-N
MW308.29 g/mol
LogP2.79
Rot. Bonds5

About N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 138019670) has the molecular formula C13H14F2N6O and a molecular weight of 308.29 g/mol. Its IUPAC name is N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID138019670
Molecular FormulaC13H14F2N6O
Molecular Weight308.29 g/mol
Exact Mass308.12
IUPAC NameN-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(NCc2cc(C(F)F)on2)n2ncnc2n1
InChIInChI=1S/C13H14F2N6O/c1-7(2)9-4-11(21-13(19-9)17-6-18-21)16-5-8-3-10(12(14)15)22-20-8/h3-4,6-7,12,16H,5H2,1-2H3
InChIKeyPZHVWDQMJWJEFQ-UHFFFAOYSA-N
XLogP2.79
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine 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 N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 138019670) is N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cc(NCc2cc(C(F)F)on2)n2ncnc2n1.
What is the InChIKey of N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PZHVWDQMJWJEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N6O/c1-7(2)9-4-11(21-13(19-9)17-6-18-21)16-5-8-3-10(12(14)15)22-20-8/h3-4,6-7,12,16H,5H2,1-2H3.
What are the key properties of N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 308.29 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 138019670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).