(5S)-5-methyl-7-propyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one

C15H19N5O — CID 164696410

IUPAC(5S)-5-methyl-7-propyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESCCCN1Cc2nnc(Cc3cccnc3)n2[C@@H](C)C1=O
InChIInChI=1S/C15H19N5O/c1-3-7-19-10-14-18-17-13(20(14)11(2)15(19)21)8-12-5-4-6-16-9-12/h4-6,9,11H,3,7-8,10H2,1-2H3/t11-/m0/s1
InChIKeyOASOVCMCJQLMHD-NSHDSACASA-N
MW285.35 g/mol
LogP1.58
Rot. Bonds4

About (5S)-5-methyl-7-propyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one

(5S)-5-methyl-7-propyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (PubChem CID 164696410) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (5S)-5-methyl-7-propyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.

Molecular Properties

Compound Name(5S)-5-methyl-7-propyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
PubChem CID164696410
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(5S)-5-methyl-7-propyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESCCCN1Cc2nnc(Cc3cccnc3)n2[C@@H](C)C1=O
InChIInChI=1S/C15H19N5O/c1-3-7-19-10-14-18-17-13(20(14)11(2)15(19)21)8-12-5-4-6-16-9-12/h4-6,9,11H,3,7-8,10H2,1-2H3/t11-/m0/s1
InChIKeyOASOVCMCJQLMHD-NSHDSACASA-N
XLogP1.58
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5S)-5-methyl-7-propyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-7-propyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The IUPAC name of (5S)-5-methyl-7-propyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (CID 164696410) is (5S)-5-methyl-7-propyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.
What is the SMILES notation for (5S)-5-methyl-7-propyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The canonical SMILES for (5S)-5-methyl-7-propyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is CCCN1Cc2nnc(Cc3cccnc3)n2[C@@H](C)C1=O.
What is the InChIKey of (5S)-5-methyl-7-propyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The InChIKey is OASOVCMCJQLMHD-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N5O/c1-3-7-19-10-14-18-17-13(20(14)11(2)15(19)21)8-12-5-4-6-16-9-12/h4-6,9,11H,3,7-8,10H2,1-2H3/t11-/m0/s1.
What are the key properties of (5S)-5-methyl-7-propyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
(5S)-5-methyl-7-propyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one has a molecular weight of 285.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-7-propyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is sourced from PubChem (CID 164696410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).