6-cyclohexyl-N-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

C17H23N7 — CID 118467063

IUPAC6-cyclohexyl-N-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCC(C)n1cc(Nc2nc(C3CCCCC3)cn3ncnc23)cn1
InChIInChI=1S/C17H23N7/c1-12(2)23-9-14(8-19-23)21-16-17-18-11-20-24(17)10-15(22-16)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,21,22)
InChIKeyQITLFPVQVVEZBW-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.69
Rot. Bonds4

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

6-cyclohexyl-N-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 118467063) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is 6-cyclohexyl-N-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-cyclohexyl-N-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
PubChem CID118467063
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC Name6-cyclohexyl-N-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCC(C)n1cc(Nc2nc(C3CCCCC3)cn3ncnc23)cn1
InChIInChI=1S/C17H23N7/c1-12(2)23-9-14(8-19-23)21-16-17-18-11-20-24(17)10-15(22-16)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,21,22)
InChIKeyQITLFPVQVVEZBW-UHFFFAOYSA-N
XLogP3.69
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-N-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The IUPAC name of 6-cyclohexyl-N-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 118467063) is 6-cyclohexyl-N-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 6-cyclohexyl-N-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 6-cyclohexyl-N-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is CC(C)n1cc(Nc2nc(C3CCCCC3)cn3ncnc23)cn1.
What is the InChIKey of 6-cyclohexyl-N-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The InChIKey is QITLFPVQVVEZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7/c1-12(2)23-9-14(8-19-23)21-16-17-18-11-20-24(17)10-15(22-16)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,21,22).
What are the key properties of 6-cyclohexyl-N-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
6-cyclohexyl-N-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 325.42 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-N-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 118467063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).