(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

C18H19ClN6O — CID 163311700

IUPAC(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
SMILESCCn1cc(-c2nnc3n2[C@@H](C)C(=O)N(Cc2ccccc2Cl)C3)cn1
InChIInChI=1S/C18H19ClN6O/c1-3-24-10-14(8-20-24)17-22-21-16-11-23(18(26)12(2)25(16)17)9-13-6-4-5-7-15(13)19/h4-8,10,12H,3,9,11H2,1-2H3/t12-/m0/s1
InChIKeyDLPYLHVBXXHHFS-LBPRGKRZSA-N
MW370.84 g/mol
LogP2.92
Rot. Bonds4

About (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

(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 (PubChem CID 163311700) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID163311700
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC Name(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
SMILESCCn1cc(-c2nnc3n2[C@@H](C)C(=O)N(Cc2ccccc2Cl)C3)cn1
InChIInChI=1S/C18H19ClN6O/c1-3-24-10-14(8-20-24)17-22-21-16-11-23(18(26)12(2)25(16)17)9-13-6-4-5-7-15(13)19/h4-8,10,12H,3,9,11H2,1-2H3/t12-/m0/s1
InChIKeyDLPYLHVBXXHHFS-LBPRGKRZSA-N
XLogP2.92
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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

Launch Full Analysis

Related Compounds

(5S)-3-(1-ethylpyrazol-4-yl)-5-methyl-7-(2-phenylethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163310331
(5R)-3-(2-chlorophenyl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163317046
(5R)-7-benzyl-3-(2-chlorophenyl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163308715
(5S)-7-[(2-chlorophenyl)methyl]-5-methyl-3-(3,3,3-trifluoropropyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163317865
(5S)-7-[(2-chlorophenyl)methyl]-5-methyl-3-(piperidin-4-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one;hydrochloride
CID 171316653
(5S)-7-[(3-fluorophenyl)methyl]-5-methyl-3-(1-methylpyrazol-4-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163313266
(5S)-7-benzyl-5-methyl-3-pyridin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163310785
(3S)-1-[(2-chlorophenyl)methyl]-3-methyl-4-(3-pyrazol-1-ylpropyl)piperazine-2,5-dione
CID 165417712
(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
(5S)-7-benzyl-5-methyl-3-(2-phenylethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163314441
(5S)-7-benzyl-5-methyl-3-(5-methyl-1H-pyrazol-3-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163312961

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCn1cc(-c2nnc3n2[C@@H](C)C(=O)N(Cc2ccccc2Cl)C3)cn1.
What is the InChIKey of (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?
The InChIKey is DLPYLHVBXXHHFS-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19ClN6O/c1-3-24-10-14(8-20-24)17-22-21-16-11-23(18(26)12(2)25(16)17)9-13-6-4-5-7-15(13)19/h4-8,10,12H,3,9,11H2,1-2H3/t12-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 370.84 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 163311700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).