6-cyclohexyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

C17H21N7O — CID 118466920

IUPAC6-cyclohexyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESc1nc2c(Nc3cnn(C4COC4)c3)nc(C3CCCCC3)cn2n1
InChIInChI=1S/C17H21N7O/c1-2-4-12(5-3-1)15-8-24-17(18-11-20-24)16(22-15)21-13-6-19-23(7-13)14-9-25-10-14/h6-8,11-12,14H,1-5,9-10H2,(H,21,22)
InChIKeyLEUOERVYWZCHKP-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.68
Rot. Bonds4

About 6-cyclohexyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

6-cyclohexyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 118466920) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-cyclohexyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-cyclohexyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
PubChem CID118466920
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name6-cyclohexyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESc1nc2c(Nc3cnn(C4COC4)c3)nc(C3CCCCC3)cn2n1
InChIInChI=1S/C17H21N7O/c1-2-4-12(5-3-1)15-8-24-17(18-11-20-24)16(22-15)21-13-6-19-23(7-13)14-9-25-10-14/h6-8,11-12,14H,1-5,9-10H2,(H,21,22)
InChIKeyLEUOERVYWZCHKP-UHFFFAOYSA-N
XLogP2.68
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-cyclohexyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-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 6-cyclohexyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The IUPAC name of 6-cyclohexyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 118466920) is 6-cyclohexyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 6-cyclohexyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 6-cyclohexyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is c1nc2c(Nc3cnn(C4COC4)c3)nc(C3CCCCC3)cn2n1.
What is the InChIKey of 6-cyclohexyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The InChIKey is LEUOERVYWZCHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-2-4-12(5-3-1)15-8-24-17(18-11-20-24)16(22-15)21-13-6-19-23(7-13)14-9-25-10-14/h6-8,11-12,14H,1-5,9-10H2,(H,21,22).
What are the key properties of 6-cyclohexyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
6-cyclohexyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 339.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 118466920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).