3-[(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 71921568

IUPAC3-[(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)CCCC2NC1CCN(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
InChIKeyGAUZHQUIMYVTEY-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.27
Rot. Bonds4

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

3-[(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 71921568) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-[(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 Name3-[(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 CID71921568
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name3-[(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)CCCC2NC1CCN(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
InChIKeyGAUZHQUIMYVTEY-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 3-[(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 3-[(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 71921568) is 3-[(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 3-[(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 3-[(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)CCCC2NC1CCN(C(C)C)C1=O.
What is the InChIKey of 3-[(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-UHFFFAOYSA-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.
What are the key properties of 3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-1-propan-2-ylpyrrolidin-2-one?
3-[(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 3-[(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 71921568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).