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

C15H26N4O — CID 62936494

IUPAC2-[2-[(2-methylcyclohexyl)amino]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC1CCCCC1NCCn1nc2n(c1=O)CCCC2
InChIInChI=1S/C15H26N4O/c1-12-6-2-3-7-13(12)16-9-11-19-15(20)18-10-5-4-8-14(18)17-19/h12-13,16H,2-11H2,1H3
InChIKeyUGGISARISFPJEV-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.55
Rot. Bonds4

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

2-[2-[(2-methylcyclohexyl)amino]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 62936494) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-[(2-methylcyclohexyl)amino]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-[(2-methylcyclohexyl)amino]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID62936494
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[2-[(2-methylcyclohexyl)amino]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC1CCCCC1NCCn1nc2n(c1=O)CCCC2
InChIInChI=1S/C15H26N4O/c1-12-6-2-3-7-13(12)16-9-11-19-15(20)18-10-5-4-8-14(18)17-19/h12-13,16H,2-11H2,1H3
InChIKeyUGGISARISFPJEV-UHFFFAOYSA-N
XLogP1.55
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylcyclohexyl)amino]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-[(2-methylcyclohexyl)amino]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 62936494) is 2-[2-[(2-methylcyclohexyl)amino]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-[(2-methylcyclohexyl)amino]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-[(2-methylcyclohexyl)amino]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is CC1CCCCC1NCCn1nc2n(c1=O)CCCC2.
What is the InChIKey of 2-[2-[(2-methylcyclohexyl)amino]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is UGGISARISFPJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12-6-2-3-7-13(12)16-9-11-19-15(20)18-10-5-4-8-14(18)17-19/h12-13,16H,2-11H2,1H3.
What are the key properties of 2-[2-[(2-methylcyclohexyl)amino]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-[(2-methylcyclohexyl)amino]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, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylcyclohexyl)amino]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 62936494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).