1-cyano-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxamide

C13H17N5O — CID 86786020

IUPAC1-cyano-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)Nc2nnc3n2CCCC3)CCCC1
InChIInChI=1S/C13H17N5O/c14-9-13(6-2-3-7-13)11(19)15-12-17-16-10-5-1-4-8-18(10)12/h1-8H2,(H,15,17,19)
InChIKeyJADLOJRDWQTEJZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.64
Rot. Bonds2

About 1-cyano-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxamide

1-cyano-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxamide (PubChem CID 86786020) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-cyano-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxamide
PubChem CID86786020
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-cyano-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)Nc2nnc3n2CCCC3)CCCC1
InChIInChI=1S/C13H17N5O/c14-9-13(6-2-3-7-13)11(19)15-12-17-16-10-5-1-4-8-18(10)12/h1-8H2,(H,15,17,19)
InChIKeyJADLOJRDWQTEJZ-UHFFFAOYSA-N
XLogP1.64
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxamide (CID 86786020) is 1-cyano-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxamide is N#CC1(C(=O)Nc2nnc3n2CCCC3)CCCC1.
What is the InChIKey of 1-cyano-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxamide?
The InChIKey is JADLOJRDWQTEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c14-9-13(6-2-3-7-13)11(19)15-12-17-16-10-5-1-4-8-18(10)12/h1-8H2,(H,15,17,19).
What are the key properties of 1-cyano-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxamide?
1-cyano-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 86786020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).