2-cyclohexyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone

C16H26N4O — CID 53193622

IUPAC2-cyclohexyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
SMILESCC(C)c1nnc2n1CCN(C(=O)CC1CCCCC1)C2
InChIInChI=1S/C16H26N4O/c1-12(2)16-18-17-14-11-19(8-9-20(14)16)15(21)10-13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3
InChIKeyOSNIYLROHMZRIB-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.71
Rot. Bonds3

About 2-cyclohexyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone

2-cyclohexyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone (PubChem CID 53193622) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
PubChem CID53193622
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-cyclohexyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
SMILESCC(C)c1nnc2n1CCN(C(=O)CC1CCCCC1)C2
InChIInChI=1S/C16H26N4O/c1-12(2)16-18-17-14-11-19(8-9-20(14)16)15(21)10-13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3
InChIKeyOSNIYLROHMZRIB-UHFFFAOYSA-N
XLogP2.71
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone (CID 53193622) is 2-cyclohexyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone is CC(C)c1nnc2n1CCN(C(=O)CC1CCCCC1)C2.
What is the InChIKey of 2-cyclohexyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The InChIKey is OSNIYLROHMZRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12(2)16-18-17-14-11-19(8-9-20(14)16)15(21)10-13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
2-cyclohexyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone is sourced from PubChem (CID 53193622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).