(3S)-3-[[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpyrrolidin-2-one

C15H25N5O — CID 97054826

IUPAC(3S)-3-[[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpyrrolidin-2-one
SMILESCCc1nc2n(n1)CCC[C@H]2N[C@H]1CCN(C(C)C)C1=O
InChIInChI=1S/C15H25N5O/c1-4-13-17-14-11(6-5-8-20(14)18-13)16-12-7-9-19(10(2)3)15(12)21/h10-12,16H,4-9H2,1-3H3/t11-,12+/m1/s1
InChIKeyGAUZHQUIMYVTEY-NEPJUHHUSA-N
MW291.40 g/mol
LogP1.27
Rot. Bonds4

About (3S)-3-[[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpyrrolidin-2-one

(3S)-3-[[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 97054826) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is (3S)-3-[[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpyrrolidin-2-one
PubChem CID97054826
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name(3S)-3-[[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpyrrolidin-2-one
SMILESCCc1nc2n(n1)CCC[C@H]2N[C@H]1CCN(C(C)C)C1=O
InChIInChI=1S/C15H25N5O/c1-4-13-17-14-11(6-5-8-20(14)18-13)16-12-7-9-19(10(2)3)15(12)21/h10-12,16H,4-9H2,1-3H3/t11-,12+/m1/s1
InChIKeyGAUZHQUIMYVTEY-NEPJUHHUSA-N
XLogP1.27
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-3-[[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpyrrolidin-2-one with MolForge

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Related Compounds

3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 71921567
2-methylpropyl 4-[[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]piperidine-1-carboxylate
CID 99851631
1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanamine
CID 112711432
3-ethyl-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-thiadiazol-5-amine
CID 97055693
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84596923
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119900263
2-ethyl-N-[1-(5-ethylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 75428655
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-methyl-3-propan-2-yl-1H-pyrazole-4-carboxamide
CID 84596679
2-(methoxymethyl)-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 75383372
3-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)cyclohexane-1-carboxamide
CID 119900248
2-(4-aminophenyl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide;dihydrochloride
CID 119900239
2-ethyl-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 125144382

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (3S)-3-[[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpyrrolidin-2-one (CID 97054826) is (3S)-3-[[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-[[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpyrrolidin-2-one is CCc1nc2n(n1)CCC[C@H]2N[C@H]1CCN(C(C)C)C1=O.
What is the InChIKey of (3S)-3-[[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is GAUZHQUIMYVTEY-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H25N5O/c1-4-13-17-14-11(6-5-8-20(14)18-13)16-12-7-9-19(10(2)3)15(12)21/h10-12,16H,4-9H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of (3S)-3-[[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpyrrolidin-2-one?
(3S)-3-[[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 291.40 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 97054826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).