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

C23H33N7O — CID 118466924

IUPAC6-cyclohexyl-N-[1-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCC1(C)CC(n2cc(Nc3nc(C4CCCCC4)cn4ncnc34)cn2)CC(C)(C)O1
InChIInChI=1S/C23H33N7O/c1-22(2)10-18(11-23(3,4)31-22)29-13-17(12-25-29)27-20-21-24-15-26-30(21)14-19(28-20)16-8-6-5-7-9-16/h12-16,18H,5-11H2,1-4H3,(H,27,28)
InChIKeyUAWOBBSJRUCUBL-UHFFFAOYSA-N
MW423.57 g/mol
LogP5.02
Rot. Bonds4

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

6-cyclohexyl-N-[1-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 118466924) has the molecular formula C23H33N7O and a molecular weight of 423.57 g/mol. Its IUPAC name is 6-cyclohexyl-N-[1-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-cyclohexyl-N-[1-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
PubChem CID118466924
Molecular FormulaC23H33N7O
Molecular Weight423.57 g/mol
Exact Mass423.27
IUPAC Name6-cyclohexyl-N-[1-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCC1(C)CC(n2cc(Nc3nc(C4CCCCC4)cn4ncnc34)cn2)CC(C)(C)O1
InChIInChI=1S/C23H33N7O/c1-22(2)10-18(11-23(3,4)31-22)29-13-17(12-25-29)27-20-21-24-15-26-30(21)14-19(28-20)16-8-6-5-7-9-16/h12-16,18H,5-11H2,1-4H3,(H,27,28)
InChIKeyUAWOBBSJRUCUBL-UHFFFAOYSA-N
XLogP5.02
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.57
LogP ≤ 55.02
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-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The IUPAC name of 6-cyclohexyl-N-[1-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 118466924) is 6-cyclohexyl-N-[1-(2,2,6,6-tetramethyloxan-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-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 6-cyclohexyl-N-[1-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is CC1(C)CC(n2cc(Nc3nc(C4CCCCC4)cn4ncnc34)cn2)CC(C)(C)O1.
What is the InChIKey of 6-cyclohexyl-N-[1-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The InChIKey is UAWOBBSJRUCUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O/c1-22(2)10-18(11-23(3,4)31-22)29-13-17(12-25-29)27-20-21-24-15-26-30(21)14-19(28-20)16-8-6-5-7-9-16/h12-16,18H,5-11H2,1-4H3,(H,27,28).
What are the key properties of 6-cyclohexyl-N-[1-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
6-cyclohexyl-N-[1-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 423.57 g/mol, XLogP of 5.02, 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-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 118466924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).