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

C13H16N6O — CID 79099178

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1noc(C)c1C(C)Nc1nccn2c(C)nnc12
InChIInChI=1S/C13H16N6O/c1-7(11-8(2)18-20-9(11)3)15-12-13-17-16-10(4)19(13)6-5-14-12/h5-7H,1-4H3,(H,14,15)
InChIKeyVCOAYKLRLDHLHV-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.21
Rot. Bonds3

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

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 79099178) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID79099178
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1noc(C)c1C(C)Nc1nccn2c(C)nnc12
InChIInChI=1S/C13H16N6O/c1-7(11-8(2)18-20-9(11)3)15-12-13-17-16-10(4)19(13)6-5-14-12/h5-7H,1-4H3,(H,14,15)
InChIKeyVCOAYKLRLDHLHV-UHFFFAOYSA-N
XLogP2.21
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 79099178) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Cc1noc(C)c1C(C)Nc1nccn2c(C)nnc12.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is VCOAYKLRLDHLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-7(11-8(2)18-20-9(11)3)15-12-13-17-16-10(4)19(13)6-5-14-12/h5-7H,1-4H3,(H,14,15).
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 272.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 79099178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).