1-cyano-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclopentane-1-carboxamide

C14H19N5O — CID 60557188

IUPAC1-cyano-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCCc2nnc3n2CCC3)CCCC1
InChIInChI=1S/C14H19N5O/c15-10-14(6-1-2-7-14)13(20)16-8-5-12-18-17-11-4-3-9-19(11)12/h1-9H2,(H,16,20)
InChIKeyXYVAFNLSRQXOFH-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.97
Rot. Bonds4

About 1-cyano-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclopentane-1-carboxamide

1-cyano-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 60557188) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-cyano-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID60557188
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-cyano-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCCc2nnc3n2CCC3)CCCC1
InChIInChI=1S/C14H19N5O/c15-10-14(6-1-2-7-14)13(20)16-8-5-12-18-17-11-4-3-9-19(11)12/h1-9H2,(H,16,20)
InChIKeyXYVAFNLSRQXOFH-UHFFFAOYSA-N
XLogP0.97
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclopentane-1-carboxamide (CID 60557188) is 1-cyano-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclopentane-1-carboxamide is N#CC1(C(=O)NCCc2nnc3n2CCC3)CCCC1.
What is the InChIKey of 1-cyano-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is XYVAFNLSRQXOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c15-10-14(6-1-2-7-14)13(20)16-8-5-12-18-17-11-4-3-9-19(11)12/h1-9H2,(H,16,20).
What are the key properties of 1-cyano-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclopentane-1-carboxamide?
1-cyano-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 60557188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).