2-[2-cyclopentyl-2-(ethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C15H26N4O — CID 104747622

IUPAC2-[2-cyclopentyl-2-(ethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCNC(Cn1nc2n(c1=O)CCCC2)C1CCCC1
InChIInChI=1S/C15H26N4O/c1-2-16-13(12-7-3-4-8-12)11-19-15(20)18-10-6-5-9-14(18)17-19/h12-13,16H,2-11H2,1H3
InChIKeySPINRTBHYQHOQJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.55
Rot. Bonds5

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

2-[2-cyclopentyl-2-(ethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 104747622) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-cyclopentyl-2-(ethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-cyclopentyl-2-(ethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID104747622
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[2-cyclopentyl-2-(ethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCNC(Cn1nc2n(c1=O)CCCC2)C1CCCC1
InChIInChI=1S/C15H26N4O/c1-2-16-13(12-7-3-4-8-12)11-19-15(20)18-10-6-5-9-14(18)17-19/h12-13,16H,2-11H2,1H3
InChIKeySPINRTBHYQHOQJ-UHFFFAOYSA-N
XLogP1.55
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-Cyclopentyl-1-methyl-3-(piperidin-4-YL)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 86820472
3-(4-Ethyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-YL)-N-(propan-2-YL)piperidine-1-carboxamide
CID 110196076
4-Cyclopentyl-1-methyl-3-(piperidin-3-YL)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 86820415
1-Methyl-3-(piperidin-4-YL)-4-(propan-2-YL)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 86820475
3-(4-Cyclopentyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-YL)-N-ethylpiperidine-1-carboxamide
CID 124041273
4-(Cyclohexylmethyl)-2-methyl-5-(2-piperazin-1-ylethyl)-1,2,4-triazol-3-one
CID 141232979
1-Methyl-1-(3-methylbutan-2-yl)-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 45832281
4-ethyl-2-[(1-methyl-2-piperidinyl)methyl]-5-(4-piperidinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one dihydrochloride
CID 50968182
2-[2-(Pentan-2-ylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 55156305
2-[2-(4-Methylpentylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 55156495
2-[2-(Propylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 55157646
2-[2-(Ethylamino)butyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 55157647

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopentyl-2-(ethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-cyclopentyl-2-(ethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 104747622) is 2-[2-cyclopentyl-2-(ethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-cyclopentyl-2-(ethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-cyclopentyl-2-(ethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCNC(Cn1nc2n(c1=O)CCCC2)C1CCCC1.
What is the InChIKey of 2-[2-cyclopentyl-2-(ethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is SPINRTBHYQHOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-16-13(12-7-3-4-8-12)11-19-15(20)18-10-6-5-9-14(18)17-19/h12-13,16H,2-11H2,1H3.
What are the key properties of 2-[2-cyclopentyl-2-(ethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-cyclopentyl-2-(ethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 278.40 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopentyl-2-(ethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 104747622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).