2-phenyl-5,6-dihydro-4H-cyclopenta[d]triazole

C11H11N3 — CID 15421899

IUPAC2-phenyl-5,6-dihydro-4H-cyclopenta[d]triazole
SMILESc1ccc(-n2nc3c(n2)CCC3)cc1
InChIInChI=1S/C11H11N3/c1-2-5-9(6-3-1)14-12-10-7-4-8-11(10)13-14/h1-3,5-6H,4,7-8H2
InChIKeyQSZDPFJLHOYGJY-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.76
Rot. Bonds1

About 2-phenyl-5,6-dihydro-4H-cyclopenta[d]triazole

2-phenyl-5,6-dihydro-4H-cyclopenta[d]triazole (PubChem CID 15421899) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-phenyl-5,6-dihydro-4H-cyclopenta[d]triazole.

Molecular Properties

Compound Name2-phenyl-5,6-dihydro-4H-cyclopenta[d]triazole
PubChem CID15421899
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name2-phenyl-5,6-dihydro-4H-cyclopenta[d]triazole
SMILESc1ccc(-n2nc3c(n2)CCC3)cc1
InChIInChI=1S/C11H11N3/c1-2-5-9(6-3-1)14-12-10-7-4-8-11(10)13-14/h1-3,5-6H,4,7-8H2
InChIKeyQSZDPFJLHOYGJY-UHFFFAOYSA-N
XLogP1.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 57609790
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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5,6-dihydro-4H-cyclopenta[d]triazole?
The IUPAC name of 2-phenyl-5,6-dihydro-4H-cyclopenta[d]triazole (CID 15421899) is 2-phenyl-5,6-dihydro-4H-cyclopenta[d]triazole.
What is the SMILES notation for 2-phenyl-5,6-dihydro-4H-cyclopenta[d]triazole?
The canonical SMILES for 2-phenyl-5,6-dihydro-4H-cyclopenta[d]triazole is c1ccc(-n2nc3c(n2)CCC3)cc1.
What is the InChIKey of 2-phenyl-5,6-dihydro-4H-cyclopenta[d]triazole?
The InChIKey is QSZDPFJLHOYGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-2-5-9(6-3-1)14-12-10-7-4-8-11(10)13-14/h1-3,5-6H,4,7-8H2.
What are the key properties of 2-phenyl-5,6-dihydro-4H-cyclopenta[d]triazole?
2-phenyl-5,6-dihydro-4H-cyclopenta[d]triazole has a molecular weight of 185.23 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5,6-dihydro-4H-cyclopenta[d]triazole is sourced from PubChem (CID 15421899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).