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

C12H14N6O — CID 79040433

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1noc(C)c1C(C)Nc1nccn2cnnc12
InChIInChI=1S/C12H14N6O/c1-7(10-8(2)17-19-9(10)3)15-11-12-16-14-6-18(12)5-4-13-11/h4-7H,1-3H3,(H,13,15)
InChIKeyMFJKZNQWZGNWRP-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.90
Rot. Bonds3

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

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 79040433) has the molecular formula C12H14N6O and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID79040433
Molecular FormulaC12H14N6O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1noc(C)c1C(C)Nc1nccn2cnnc12
InChIInChI=1S/C12H14N6O/c1-7(10-8(2)17-19-9(10)3)15-11-12-16-14-6-18(12)5-4-13-11/h4-7H,1-3H3,(H,13,15)
InChIKeyMFJKZNQWZGNWRP-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
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]-[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]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 79040433) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-[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]-[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]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Cc1noc(C)c1C(C)Nc1nccn2cnnc12.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is MFJKZNQWZGNWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c1-7(10-8(2)17-19-9(10)3)15-11-12-16-14-6-18(12)5-4-13-11/h4-7H,1-3H3,(H,13,15).
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 258.28 g/mol, XLogP of 1.90, 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]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 79040433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).