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

C16H27N5O2 — CID 124680107

IUPAC(6S)-6-(4-ethyl-3,3-dimethylpiperazine-1-carbonyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCN1CCN(C(=O)[C@H]2CCc3nn(C)c(=O)n3C2)CC1(C)C
InChIInChI=1S/C16H27N5O2/c1-5-20-9-8-19(11-16(20,2)3)14(22)12-6-7-13-17-18(4)15(23)21(13)10-12/h12H,5-11H2,1-4H3/t12-/m0/s1
InChIKeyQOYYZKQBCDHEFW-LBPRGKRZSA-N
MW321.43 g/mol
LogP0.09
Rot. Bonds2

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

(6S)-6-(4-ethyl-3,3-dimethylpiperazine-1-carbonyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 124680107) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is (6S)-6-(4-ethyl-3,3-dimethylpiperazine-1-carbonyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name(6S)-6-(4-ethyl-3,3-dimethylpiperazine-1-carbonyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID124680107
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name(6S)-6-(4-ethyl-3,3-dimethylpiperazine-1-carbonyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCN1CCN(C(=O)[C@H]2CCc3nn(C)c(=O)n3C2)CC1(C)C
InChIInChI=1S/C16H27N5O2/c1-5-20-9-8-19(11-16(20,2)3)14(22)12-6-7-13-17-18(4)15(23)21(13)10-12/h12H,5-11H2,1-4H3/t12-/m0/s1
InChIKeyQOYYZKQBCDHEFW-LBPRGKRZSA-N
XLogP0.09
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[3-[4-(Cyclopentanecarbonyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 134801076
2-[2-[4-(Cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 134802754
2-[3-[4-(2-Methylpropanoyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 134803241
2-[2-[4-(2-Methylpropanoyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 134803822
2-[3-[4-(Cyclopropanecarbonyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 134803918
8-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97191764
6-[(4-ethyl-3,3-dimethylpiperazin-1-yl)carbonyl]-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
CID 91798335
2-Butyl-3-ethyl-9-(piperidine-1-carbonyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one
CID 170412175
1-(2,2-dimethylpropanoyl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-3-carboxamide
CID 48003184
3-N-ethyl-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,3-dicarboxamide
CID 48958130
2-(3-{[4-(4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl]carbonyl}piperidin-1-yl)acetamide
CID 56744871
2-Isobutyl-8-[(2-methyl-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72860753

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(4-ethyl-3,3-dimethylpiperazine-1-carbonyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of (6S)-6-(4-ethyl-3,3-dimethylpiperazine-1-carbonyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 124680107) is (6S)-6-(4-ethyl-3,3-dimethylpiperazine-1-carbonyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for (6S)-6-(4-ethyl-3,3-dimethylpiperazine-1-carbonyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for (6S)-6-(4-ethyl-3,3-dimethylpiperazine-1-carbonyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCN1CCN(C(=O)[C@H]2CCc3nn(C)c(=O)n3C2)CC1(C)C.
What is the InChIKey of (6S)-6-(4-ethyl-3,3-dimethylpiperazine-1-carbonyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is QOYYZKQBCDHEFW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-5-20-9-8-19(11-16(20,2)3)14(22)12-6-7-13-17-18(4)15(23)21(13)10-12/h12H,5-11H2,1-4H3/t12-/m0/s1.
What are the key properties of (6S)-6-(4-ethyl-3,3-dimethylpiperazine-1-carbonyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
(6S)-6-(4-ethyl-3,3-dimethylpiperazine-1-carbonyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 321.43 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(4-ethyl-3,3-dimethylpiperazine-1-carbonyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 124680107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).