4-[cyclopentylidene(2H-triazol-4-yl)methyl]benzonitrile

C15H14N4 — CID 23365293

IUPAC4-[cyclopentylidene(2H-triazol-4-yl)methyl]benzonitrile
SMILESN#Cc1ccc(C(=C2CCCC2)c2cn[nH]n2)cc1
InChIInChI=1S/C15H14N4/c16-9-11-5-7-13(8-6-11)15(12-3-1-2-4-12)14-10-17-19-18-14/h5-8,10H,1-4H2,(H,17,18,19)
InChIKeyROLYNIATTYUUTO-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.05
Rot. Bonds2

About 4-[cyclopentylidene(2H-triazol-4-yl)methyl]benzonitrile

4-[cyclopentylidene(2H-triazol-4-yl)methyl]benzonitrile (PubChem CID 23365293) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-[cyclopentylidene(2H-triazol-4-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[cyclopentylidene(2H-triazol-4-yl)methyl]benzonitrile
PubChem CID23365293
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name4-[cyclopentylidene(2H-triazol-4-yl)methyl]benzonitrile
SMILESN#Cc1ccc(C(=C2CCCC2)c2cn[nH]n2)cc1
InChIInChI=1S/C15H14N4/c16-9-11-5-7-13(8-6-11)15(12-3-1-2-4-12)14-10-17-19-18-14/h5-8,10H,1-4H2,(H,17,18,19)
InChIKeyROLYNIATTYUUTO-UHFFFAOYSA-N
XLogP3.05
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentylidene(2H-triazol-4-yl)methyl]benzonitrile?
The IUPAC name of 4-[cyclopentylidene(2H-triazol-4-yl)methyl]benzonitrile (CID 23365293) is 4-[cyclopentylidene(2H-triazol-4-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[cyclopentylidene(2H-triazol-4-yl)methyl]benzonitrile?
The canonical SMILES for 4-[cyclopentylidene(2H-triazol-4-yl)methyl]benzonitrile is N#Cc1ccc(C(=C2CCCC2)c2cn[nH]n2)cc1.
What is the InChIKey of 4-[cyclopentylidene(2H-triazol-4-yl)methyl]benzonitrile?
The InChIKey is ROLYNIATTYUUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-9-11-5-7-13(8-6-11)15(12-3-1-2-4-12)14-10-17-19-18-14/h5-8,10H,1-4H2,(H,17,18,19).
What are the key properties of 4-[cyclopentylidene(2H-triazol-4-yl)methyl]benzonitrile?
4-[cyclopentylidene(2H-triazol-4-yl)methyl]benzonitrile has a molecular weight of 250.31 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentylidene(2H-triazol-4-yl)methyl]benzonitrile is sourced from PubChem (CID 23365293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).