N-cyclopentyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

C13H20N4O2 — CID 110876298

IUPACN-cyclopentyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESO=C(Cn1nc2n(c1=O)CCCC2)NC1CCCC1
InChIInChI=1S/C13H20N4O2/c18-12(14-10-5-1-2-6-10)9-17-13(19)16-8-4-3-7-11(16)15-17/h10H,1-9H2,(H,14,18)
InChIKeyNNICPZXTHWFNSF-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.44
Rot. Bonds3

About N-cyclopentyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

N-cyclopentyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 110876298) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID110876298
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-cyclopentyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESO=C(Cn1nc2n(c1=O)CCCC2)NC1CCCC1
InChIInChI=1S/C13H20N4O2/c18-12(14-10-5-1-2-6-10)9-17-13(19)16-8-4-3-7-11(16)15-17/h10H,1-9H2,(H,14,18)
InChIKeyNNICPZXTHWFNSF-UHFFFAOYSA-N
XLogP0.44
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 110876298) is N-cyclopentyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is O=C(Cn1nc2n(c1=O)CCCC2)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is NNICPZXTHWFNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c18-12(14-10-5-1-2-6-10)9-17-13(19)16-8-4-3-7-11(16)15-17/h10H,1-9H2,(H,14,18).
What are the key properties of N-cyclopentyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-cyclopentyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 264.33 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 110876298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).