2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C15H22N4O2 — CID 115758501

IUPAC2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCN(CCn1nc2ccccn2c1=O)CC1(O)CCCC1
InChIInChI=1S/C15H22N4O2/c1-17(12-15(21)7-3-4-8-15)10-11-19-14(20)18-9-5-2-6-13(18)16-19/h2,5-6,9,21H,3-4,7-8,10-12H2,1H3
InChIKeyRRATZWVHAGWARM-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.73
Rot. Bonds5

About 2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 115758501) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID115758501
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCN(CCn1nc2ccccn2c1=O)CC1(O)CCCC1
InChIInChI=1S/C15H22N4O2/c1-17(12-15(21)7-3-4-8-15)10-11-19-14(20)18-9-5-2-6-13(18)16-19/h2,5-6,9,21H,3-4,7-8,10-12H2,1H3
InChIKeyRRATZWVHAGWARM-UHFFFAOYSA-N
XLogP0.73
TPSA62.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 115758501) is 2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CN(CCn1nc2ccccn2c1=O)CC1(O)CCCC1.
What is the InChIKey of 2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is RRATZWVHAGWARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-17(12-15(21)7-3-4-8-15)10-11-19-14(20)18-9-5-2-6-13(18)16-19/h2,5-6,9,21H,3-4,7-8,10-12H2,1H3.
What are the key properties of 2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 290.37 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 115758501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).