(5S)-7-[(4-methoxyphenyl)methyl]-5-methyl-3-pyrrolidin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one;hydrochloride

C18H24ClN5O2 — CID 171317116

IUPAC(5S)-7-[(4-methoxyphenyl)methyl]-5-methyl-3-pyrrolidin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one;hydrochloride
SMILESCOc1ccc(CN2Cc3nnc(C4CCCN4)n3[C@@H](C)C2=O)cc1.Cl
InChIInChI=1S/C18H23N5O2.ClH/c1-12-18(24)22(10-13-5-7-14(25-2)8-6-13)11-16-20-21-17(23(12)16)15-4-3-9-19-15;/h5-8,12,15,19H,3-4,9-11H2,1-2H3;1H/t12-,15?;/m0./s1
InChIKeyCONRTLFYMCKGRE-VPCQFMPWSA-N
MW377.88 g/mol
LogP2.24
Rot. Bonds4

About (5S)-7-[(4-methoxyphenyl)methyl]-5-methyl-3-pyrrolidin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one;hydrochloride

(5S)-7-[(4-methoxyphenyl)methyl]-5-methyl-3-pyrrolidin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one;hydrochloride (PubChem CID 171317116) has the molecular formula C18H24ClN5O2 and a molecular weight of 377.88 g/mol. Its IUPAC name is (5S)-7-[(4-methoxyphenyl)methyl]-5-methyl-3-pyrrolidin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one;hydrochloride.

Molecular Properties

Compound Name(5S)-7-[(4-methoxyphenyl)methyl]-5-methyl-3-pyrrolidin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one;hydrochloride
PubChem CID171317116
Molecular FormulaC18H24ClN5O2
Molecular Weight377.88 g/mol
Exact Mass377.16
IUPAC Name(5S)-7-[(4-methoxyphenyl)methyl]-5-methyl-3-pyrrolidin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one;hydrochloride
SMILESCOc1ccc(CN2Cc3nnc(C4CCCN4)n3[C@@H](C)C2=O)cc1.Cl
InChIInChI=1S/C18H23N5O2.ClH/c1-12-18(24)22(10-13-5-7-14(25-2)8-6-13)11-16-20-21-17(23(12)16)15-4-3-9-19-15;/h5-8,12,15,19H,3-4,9-11H2,1-2H3;1H/t12-,15?;/m0./s1
InChIKeyCONRTLFYMCKGRE-VPCQFMPWSA-N
XLogP2.24
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5S)-7-[(4-methoxyphenyl)methyl]-5-methyl-3-pyrrolidin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one;hydrochloride with MolForge

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Related Compounds

(5S)-3-cyclopropyl-7-[(4-methoxyphenyl)methyl]-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 164700344
(5S)-7-[(4-methoxyphenyl)methyl]-5-methyl-3-pyridin-3-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163318084
1-[(4-methoxyphenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941677
1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole
CID 114702895
(5S)-7-benzyl-5-methyl-3-(2-phenylethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163314441
1-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-2-ylimidazole
CID 114702887
(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-[(4-methoxyphenyl)methyl]-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazine-2,5-dione
CID 165421540
(5S)-7-benzyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163315618
4-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole
CID 115061820
(5R)-7-benzyl-3-(2-chlorophenyl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163308715
(3S)-4-[(2,6-dimethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165419805

Frequently Asked Questions

What is the IUPAC name of (5S)-7-[(4-methoxyphenyl)methyl]-5-methyl-3-pyrrolidin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one;hydrochloride?
The IUPAC name of (5S)-7-[(4-methoxyphenyl)methyl]-5-methyl-3-pyrrolidin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one;hydrochloride (CID 171317116) is (5S)-7-[(4-methoxyphenyl)methyl]-5-methyl-3-pyrrolidin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one;hydrochloride.
What is the SMILES notation for (5S)-7-[(4-methoxyphenyl)methyl]-5-methyl-3-pyrrolidin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one;hydrochloride?
The canonical SMILES for (5S)-7-[(4-methoxyphenyl)methyl]-5-methyl-3-pyrrolidin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one;hydrochloride is COc1ccc(CN2Cc3nnc(C4CCCN4)n3[C@@H](C)C2=O)cc1.Cl.
What is the InChIKey of (5S)-7-[(4-methoxyphenyl)methyl]-5-methyl-3-pyrrolidin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one;hydrochloride?
The InChIKey is CONRTLFYMCKGRE-VPCQFMPWSA-N. The full InChI is InChI=1S/C18H23N5O2.ClH/c1-12-18(24)22(10-13-5-7-14(25-2)8-6-13)11-16-20-21-17(23(12)16)15-4-3-9-19-15;/h5-8,12,15,19H,3-4,9-11H2,1-2H3;1H/t12-,15?;/m0./s1.
What are the key properties of (5S)-7-[(4-methoxyphenyl)methyl]-5-methyl-3-pyrrolidin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one;hydrochloride?
(5S)-7-[(4-methoxyphenyl)methyl]-5-methyl-3-pyrrolidin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one;hydrochloride has a molecular weight of 377.88 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-[(4-methoxyphenyl)methyl]-5-methyl-3-pyrrolidin-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one;hydrochloride is sourced from PubChem (CID 171317116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).