1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyridin-3-ylpropan-1-one

C22H25N5O — CID 164691671

IUPAC1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyridin-3-ylpropan-1-one
SMILESCC(C)[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)CCc1cccnc1
InChIInChI=1S/C22H25N5O/c1-16(2)20-22-24-21(18-8-4-3-5-9-18)25-27(22)14-13-26(20)19(28)11-10-17-7-6-12-23-15-17/h3-9,12,15-16,20H,10-11,13-14H2,1-2H3/t20-/m0/s1
InChIKeyLPXSUVRAIQESAT-FQEVSTJZSA-N
MW375.48 g/mol
LogP3.51
Rot. Bonds5

About 1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyridin-3-ylpropan-1-one

1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyridin-3-ylpropan-1-one (PubChem CID 164691671) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyridin-3-ylpropan-1-one
PubChem CID164691671
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyridin-3-ylpropan-1-one
SMILESCC(C)[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)CCc1cccnc1
InChIInChI=1S/C22H25N5O/c1-16(2)20-22-24-21(18-8-4-3-5-9-18)25-27(22)14-13-26(20)19(28)11-10-17-7-6-12-23-15-17/h3-9,12,15-16,20H,10-11,13-14H2,1-2H3/t20-/m0/s1
InChIKeyLPXSUVRAIQESAT-FQEVSTJZSA-N
XLogP3.51
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyridin-3-ylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyridin-3-ylpropan-1-one (CID 164691671) is 1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyridin-3-ylpropan-1-one is CC(C)[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)CCc1cccnc1.
What is the InChIKey of 1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyridin-3-ylpropan-1-one?
The InChIKey is LPXSUVRAIQESAT-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25N5O/c1-16(2)20-22-24-21(18-8-4-3-5-9-18)25-27(22)14-13-26(20)19(28)11-10-17-7-6-12-23-15-17/h3-9,12,15-16,20H,10-11,13-14H2,1-2H3/t20-/m0/s1.
What are the key properties of 1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyridin-3-ylpropan-1-one?
1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 375.48 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 164691671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).