(6S)-2-methyl-6-[4-(4-methylphenyl)-3-oxopiperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C19H23N5O3 — CID 96578928

IUPAC(6S)-2-methyl-6-[4-(4-methylphenyl)-3-oxopiperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1ccc(N2CCN(C(=O)[C@H]3CCc4nn(C)c(=O)n4C3)CC2=O)cc1
InChIInChI=1S/C19H23N5O3/c1-13-3-6-15(7-4-13)23-10-9-22(12-17(23)25)18(26)14-5-8-16-20-21(2)19(27)24(16)11-14/h3-4,6-7,14H,5,8-12H2,1-2H3/t14-/m0/s1
InChIKeyZSEHVAYHMWVRET-AWEZNQCLSA-N
MW369.43 g/mol
LogP0.33
Rot. Bonds2

About (6S)-2-methyl-6-[4-(4-methylphenyl)-3-oxopiperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

(6S)-2-methyl-6-[4-(4-methylphenyl)-3-oxopiperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 96578928) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is (6S)-2-methyl-6-[4-(4-methylphenyl)-3-oxopiperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name(6S)-2-methyl-6-[4-(4-methylphenyl)-3-oxopiperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID96578928
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name(6S)-2-methyl-6-[4-(4-methylphenyl)-3-oxopiperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1ccc(N2CCN(C(=O)[C@H]3CCc4nn(C)c(=O)n4C3)CC2=O)cc1
InChIInChI=1S/C19H23N5O3/c1-13-3-6-15(7-4-13)23-10-9-22(12-17(23)25)18(26)14-5-8-16-20-21(2)19(27)24(16)11-14/h3-4,6-7,14H,5,8-12H2,1-2H3/t14-/m0/s1
InChIKeyZSEHVAYHMWVRET-AWEZNQCLSA-N
XLogP0.33
TPSA80.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6S)-2-methyl-6-[4-(4-methylphenyl)-3-oxopiperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

4-[1-(2-ethoxyacetyl)piperidine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one
CID 70765317
6-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 90652139
1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
CID 70741232
2-methyl-6-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 72927882
1-(4-methylphenyl)-4-(1-methylsulfonylpyrrolidine-2-carbonyl)piperazin-2-one
CID 70778630
2-methyl-6-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 135111321
4-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]-1-(4-methylphenyl)piperazin-2-one
CID 96580689
4-[2-(azepan-1-yl)propanoyl]-1-(4-methylphenyl)piperazin-2-one
CID 70776563
5-[2-[4-(4-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
CID 70736014
1-(4-methylphenyl)-4-[(4S)-4-(4-methylpiperazin-1-yl)pentanoyl]piperazin-2-one
CID 96579737
1-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62303043
1-(4-methylphenyl)-4-(2-pyrazin-2-ylacetyl)piperazin-2-one
CID 70743066

Frequently Asked Questions

What is the IUPAC name of (6S)-2-methyl-6-[4-(4-methylphenyl)-3-oxopiperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of (6S)-2-methyl-6-[4-(4-methylphenyl)-3-oxopiperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 96578928) is (6S)-2-methyl-6-[4-(4-methylphenyl)-3-oxopiperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for (6S)-2-methyl-6-[4-(4-methylphenyl)-3-oxopiperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for (6S)-2-methyl-6-[4-(4-methylphenyl)-3-oxopiperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cc1ccc(N2CCN(C(=O)[C@H]3CCc4nn(C)c(=O)n4C3)CC2=O)cc1.
What is the InChIKey of (6S)-2-methyl-6-[4-(4-methylphenyl)-3-oxopiperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is ZSEHVAYHMWVRET-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-13-3-6-15(7-4-13)23-10-9-22(12-17(23)25)18(26)14-5-8-16-20-21(2)19(27)24(16)11-14/h3-4,6-7,14H,5,8-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (6S)-2-methyl-6-[4-(4-methylphenyl)-3-oxopiperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
(6S)-2-methyl-6-[4-(4-methylphenyl)-3-oxopiperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 369.43 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-methyl-6-[4-(4-methylphenyl)-3-oxopiperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 96578928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).