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

C19H25N7O — CID 118466923

IUPAC6-cyclohexyl-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESc1nc2c(Nc3cnn(C4CCOCC4)c3)nc(C3CCCCC3)cn2n1
InChIInChI=1S/C19H25N7O/c1-2-4-14(5-3-1)17-12-26-19(20-13-22-26)18(24-17)23-15-10-21-25(11-15)16-6-8-27-9-7-16/h10-14,16H,1-9H2,(H,23,24)
InChIKeyLGHPHYPVQREZIS-UHFFFAOYSA-N
MW367.46 g/mol
LogP3.46
Rot. Bonds4

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

6-cyclohexyl-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 118466923) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 6-cyclohexyl-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-cyclohexyl-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
PubChem CID118466923
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name6-cyclohexyl-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESc1nc2c(Nc3cnn(C4CCOCC4)c3)nc(C3CCCCC3)cn2n1
InChIInChI=1S/C19H25N7O/c1-2-4-14(5-3-1)17-12-26-19(20-13-22-26)18(24-17)23-15-10-21-25(11-15)16-6-8-27-9-7-16/h10-14,16H,1-9H2,(H,23,24)
InChIKeyLGHPHYPVQREZIS-UHFFFAOYSA-N
XLogP3.46
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The IUPAC name of 6-cyclohexyl-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 118466923) is 6-cyclohexyl-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 6-cyclohexyl-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 6-cyclohexyl-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is c1nc2c(Nc3cnn(C4CCOCC4)c3)nc(C3CCCCC3)cn2n1.
What is the InChIKey of 6-cyclohexyl-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The InChIKey is LGHPHYPVQREZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-2-4-14(5-3-1)17-12-26-19(20-13-22-26)18(24-17)23-15-10-21-25(11-15)16-6-8-27-9-7-16/h10-14,16H,1-9H2,(H,23,24).
What are the key properties of 6-cyclohexyl-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
6-cyclohexyl-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 367.46 g/mol, XLogP of 3.46, 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-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 118466923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).