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

C15H19N7 — CID 118456717

IUPAC6-cyclohexyl-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCn1cc(Nc2nc(C3CCCCC3)cn3ncnc23)cn1
InChIInChI=1S/C15H19N7/c1-21-8-12(7-17-21)19-14-15-16-10-18-22(15)9-13(20-14)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,19,20)
InChIKeyTWQMUQBZIYENEX-UHFFFAOYSA-N
MW297.37 g/mol
LogP2.65
Rot. Bonds3

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

6-cyclohexyl-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 118456717) has the molecular formula C15H19N7 and a molecular weight of 297.37 g/mol. Its IUPAC name is 6-cyclohexyl-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-cyclohexyl-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
PubChem CID118456717
Molecular FormulaC15H19N7
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name6-cyclohexyl-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCn1cc(Nc2nc(C3CCCCC3)cn3ncnc23)cn1
InChIInChI=1S/C15H19N7/c1-21-8-12(7-17-21)19-14-15-16-10-18-22(15)9-13(20-14)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,19,20)
InChIKeyTWQMUQBZIYENEX-UHFFFAOYSA-N
XLogP2.65
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 52.65
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-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The IUPAC name of 6-cyclohexyl-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 118456717) is 6-cyclohexyl-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 6-cyclohexyl-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 6-cyclohexyl-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is Cn1cc(Nc2nc(C3CCCCC3)cn3ncnc23)cn1.
What is the InChIKey of 6-cyclohexyl-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The InChIKey is TWQMUQBZIYENEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7/c1-21-8-12(7-17-21)19-14-15-16-10-18-22(15)9-13(20-14)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,19,20).
What are the key properties of 6-cyclohexyl-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
6-cyclohexyl-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 297.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 118456717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).