N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopent-3-en-1-amine

C14H16N4 — CID 113475085

IUPACN-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopent-3-en-1-amine
SMILESC1=CCC(NCc2n[nH]nc2-c2ccccc2)C1
InChIInChI=1S/C14H16N4/c1-2-6-11(7-3-1)14-13(16-18-17-14)10-15-12-8-4-5-9-12/h1-7,12,15H,8-10H2,(H,16,17,18)
InChIKeyLOMMJLFXDMDKPP-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.28
Rot. Bonds4

About N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopent-3-en-1-amine

N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopent-3-en-1-amine (PubChem CID 113475085) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopent-3-en-1-amine
PubChem CID113475085
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC NameN-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopent-3-en-1-amine
SMILESC1=CCC(NCc2n[nH]nc2-c2ccccc2)C1
InChIInChI=1S/C14H16N4/c1-2-6-11(7-3-1)14-13(16-18-17-14)10-15-12-8-4-5-9-12/h1-7,12,15H,8-10H2,(H,16,17,18)
InChIKeyLOMMJLFXDMDKPP-UHFFFAOYSA-N
XLogP2.28
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopent-3-en-1-amine?
The IUPAC name of N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopent-3-en-1-amine (CID 113475085) is N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopent-3-en-1-amine.
What is the SMILES notation for N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopent-3-en-1-amine?
The canonical SMILES for N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopent-3-en-1-amine is C1=CCC(NCc2n[nH]nc2-c2ccccc2)C1.
What is the InChIKey of N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopent-3-en-1-amine?
The InChIKey is LOMMJLFXDMDKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-2-6-11(7-3-1)14-13(16-18-17-14)10-15-12-8-4-5-9-12/h1-7,12,15H,8-10H2,(H,16,17,18).
What are the key properties of N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopent-3-en-1-amine?
N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopent-3-en-1-amine has a molecular weight of 240.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopent-3-en-1-amine is sourced from PubChem (CID 113475085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).