N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C12H14N6O — CID 79099269

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1noc(C)c1CNc1nccn2c(C)nnc12
InChIInChI=1S/C12H14N6O/c1-7-10(8(2)19-17-7)6-14-11-12-16-15-9(3)18(12)5-4-13-11/h4-5H,6H2,1-3H3,(H,13,14)
InChIKeyBWGXGXAXILWNHK-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.65
Rot. Bonds3

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 79099269) has the molecular formula C12H14N6O and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID79099269
Molecular FormulaC12H14N6O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1noc(C)c1CNc1nccn2c(C)nnc12
InChIInChI=1S/C12H14N6O/c1-7-10(8(2)19-17-7)6-14-11-12-16-15-9(3)18(12)5-4-13-11/h4-5H,6H2,1-3H3,(H,13,14)
InChIKeyBWGXGXAXILWNHK-UHFFFAOYSA-N
XLogP1.65
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 79099269) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Cc1noc(C)c1CNc1nccn2c(C)nnc12.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is BWGXGXAXILWNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c1-7-10(8(2)19-17-7)6-14-11-12-16-15-9(3)18(12)5-4-13-11/h4-5H,6H2,1-3H3,(H,13,14).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 258.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 79099269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).