[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-hydroxycyclobutyl)methanone

C17H26N4O2 — CID 164699474

IUPAC[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-hydroxycyclobutyl)methanone
SMILESCC(C)C[C@H]1c2nc(C3CC3)nn2CCN1C(=O)C1CC(O)C1
InChIInChI=1S/C17H26N4O2/c1-10(2)7-14-16-18-15(11-3-4-11)19-21(16)6-5-20(14)17(23)12-8-13(22)9-12/h10-14,22H,3-9H2,1-2H3/t12?,13?,14-/m0/s1
InChIKeyWIQMXXAEXLBOKY-RUXDESIVSA-N
MW318.42 g/mol
LogP1.86
Rot. Bonds4

About [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-hydroxycyclobutyl)methanone

[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-hydroxycyclobutyl)methanone (PubChem CID 164699474) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-hydroxycyclobutyl)methanone.

Molecular Properties

Compound Name[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-hydroxycyclobutyl)methanone
PubChem CID164699474
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-hydroxycyclobutyl)methanone
SMILESCC(C)C[C@H]1c2nc(C3CC3)nn2CCN1C(=O)C1CC(O)C1
InChIInChI=1S/C17H26N4O2/c1-10(2)7-14-16-18-15(11-3-4-11)19-21(16)6-5-20(14)17(23)12-8-13(22)9-12/h10-14,22H,3-9H2,1-2H3/t12?,13?,14-/m0/s1
InChIKeyWIQMXXAEXLBOKY-RUXDESIVSA-N
XLogP1.86
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-hydroxycyclobutyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-hydroxycyclobutyl)methanone?
The IUPAC name of [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-hydroxycyclobutyl)methanone (CID 164699474) is [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-hydroxycyclobutyl)methanone.
What is the SMILES notation for [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-hydroxycyclobutyl)methanone?
The canonical SMILES for [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-hydroxycyclobutyl)methanone is CC(C)C[C@H]1c2nc(C3CC3)nn2CCN1C(=O)C1CC(O)C1.
What is the InChIKey of [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-hydroxycyclobutyl)methanone?
The InChIKey is WIQMXXAEXLBOKY-RUXDESIVSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-10(2)7-14-16-18-15(11-3-4-11)19-21(16)6-5-20(14)17(23)12-8-13(22)9-12/h10-14,22H,3-9H2,1-2H3/t12?,13?,14-/m0/s1.
What are the key properties of [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-hydroxycyclobutyl)methanone?
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-hydroxycyclobutyl)methanone has a molecular weight of 318.42 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-hydroxycyclobutyl)methanone is sourced from PubChem (CID 164699474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).