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

C15H17ClN4O — CID 163317046

IUPAC(5R)-3-(2-chlorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESCCCN1Cc2nnc(-c3ccccc3Cl)n2[C@H](C)C1=O
InChIInChI=1S/C15H17ClN4O/c1-3-8-19-9-13-17-18-14(20(13)10(2)15(19)21)11-6-4-5-7-12(11)16/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
InChIKeyNKPWVOFCYVGVSC-SNVBAGLBSA-N
MW304.78 g/mol
LogP2.91
Rot. Bonds3

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

(5R)-3-(2-chlorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (PubChem CID 163317046) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is (5R)-3-(2-chlorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.

Molecular Properties

Compound Name(5R)-3-(2-chlorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
PubChem CID163317046
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name(5R)-3-(2-chlorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESCCCN1Cc2nnc(-c3ccccc3Cl)n2[C@H](C)C1=O
InChIInChI=1S/C15H17ClN4O/c1-3-8-19-9-13-17-18-14(20(13)10(2)15(19)21)11-6-4-5-7-12(11)16/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
InChIKeyNKPWVOFCYVGVSC-SNVBAGLBSA-N
XLogP2.91
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-7-benzyl-3-(2-chlorophenyl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163308715
(5R)-5-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163308133
(5S)-5-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 164698612
(5R)-3-(3,4-difluorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163312374
(5R)-5-methyl-7-propyl-3-[4-(trifluoromethyl)phenyl]-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163310547
(5S)-7-[(2-chlorophenyl)methyl]-3-(1-ethylpyrazol-4-yl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163311700
(5R)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163313636
(5R)-3-[(benzylamino)methyl]-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one;hydrochloride
CID 171317301
(5S)-3,5-dimethyl-7-(2-phenylethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163307683
(5S)-5-methyl-7-propyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 164696410
(5S)-5-methyl-7-(2-phenylethyl)-3-pyridin-4-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163318787
(5S)-7-benzyl-5-methyl-3-(1-methylpyrazol-3-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163312275

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2-chlorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The IUPAC name of (5R)-3-(2-chlorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (CID 163317046) is (5R)-3-(2-chlorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.
What is the SMILES notation for (5R)-3-(2-chlorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The canonical SMILES for (5R)-3-(2-chlorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is CCCN1Cc2nnc(-c3ccccc3Cl)n2[C@H](C)C1=O.
What is the InChIKey of (5R)-3-(2-chlorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The InChIKey is NKPWVOFCYVGVSC-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-3-8-19-9-13-17-18-14(20(13)10(2)15(19)21)11-6-4-5-7-12(11)16/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (5R)-3-(2-chlorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
(5R)-3-(2-chlorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one has a molecular weight of 304.78 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(2-chlorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is sourced from PubChem (CID 163317046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).