5-(2-cyclopropylethyl)-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

C11H17N3O — CID 126689525

IUPAC5-(2-cyclopropylethyl)-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1[nH]nc2n1C(CCC1CC1)CCC2
InChIInChI=1S/C11H17N3O/c15-11-13-12-10-3-1-2-9(14(10)11)7-6-8-4-5-8/h8-9H,1-7H2,(H,13,15)
InChIKeyZUPSEGLOKVQAEO-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.64
Rot. Bonds3

About 5-(2-cyclopropylethyl)-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

5-(2-cyclopropylethyl)-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 126689525) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-(2-cyclopropylethyl)-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name5-(2-cyclopropylethyl)-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID126689525
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-(2-cyclopropylethyl)-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1[nH]nc2n1C(CCC1CC1)CCC2
InChIInChI=1S/C11H17N3O/c15-11-13-12-10-3-1-2-9(14(10)11)7-6-8-4-5-8/h8-9H,1-7H2,(H,13,15)
InChIKeyZUPSEGLOKVQAEO-UHFFFAOYSA-N
XLogP1.64
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-cyclopropylethyl)-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

4-[(1S)-1-cyclohexylethyl]-5-cyclopropyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50962934
4-[(1S)-1-cyclohexylethyl]-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50973166
4-cyclopropyl-3-piperidin-3-yl-1H-1,2,4-triazol-5-one
CID 81487766
3-[[1-(aminomethyl)cyclohexyl]methyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 102655328

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylethyl)-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 5-(2-cyclopropylethyl)-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 126689525) is 5-(2-cyclopropylethyl)-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 5-(2-cyclopropylethyl)-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 5-(2-cyclopropylethyl)-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1[nH]nc2n1C(CCC1CC1)CCC2.
What is the InChIKey of 5-(2-cyclopropylethyl)-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is ZUPSEGLOKVQAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c15-11-13-12-10-3-1-2-9(14(10)11)7-6-8-4-5-8/h8-9H,1-7H2,(H,13,15).
What are the key properties of 5-(2-cyclopropylethyl)-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
5-(2-cyclopropylethyl)-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 207.28 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylethyl)-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 126689525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).