2-phenyl-1,5-dihydro-1,2,4-triazole

C8H9N3 — CID 89160676

IUPAC2-phenyl-1,5-dihydro-1,2,4-triazole
SMILESC1=NCNN1c1ccccc1
InChIInChI=1S/C8H9N3/c1-2-4-8(5-3-1)11-7-9-6-10-11/h1-5,7,10H,6H2
InChIKeyDVAVNAVTYVSEQX-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.00
Rot. Bonds1

About 2-phenyl-1,5-dihydro-1,2,4-triazole

2-phenyl-1,5-dihydro-1,2,4-triazole (PubChem CID 89160676) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-phenyl-1,5-dihydro-1,2,4-triazole.

Molecular Properties

Compound Name2-phenyl-1,5-dihydro-1,2,4-triazole
PubChem CID89160676
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name2-phenyl-1,5-dihydro-1,2,4-triazole
SMILESC1=NCNN1c1ccccc1
InChIInChI=1S/C8H9N3/c1-2-4-8(5-3-1)11-7-9-6-10-11/h1-5,7,10H,6H2
InChIKeyDVAVNAVTYVSEQX-UHFFFAOYSA-N
XLogP1.00
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,5-dihydro-1,2,4-triazole?
The IUPAC name of 2-phenyl-1,5-dihydro-1,2,4-triazole (CID 89160676) is 2-phenyl-1,5-dihydro-1,2,4-triazole.
What is the SMILES notation for 2-phenyl-1,5-dihydro-1,2,4-triazole?
The canonical SMILES for 2-phenyl-1,5-dihydro-1,2,4-triazole is C1=NCNN1c1ccccc1.
What is the InChIKey of 2-phenyl-1,5-dihydro-1,2,4-triazole?
The InChIKey is DVAVNAVTYVSEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-2-4-8(5-3-1)11-7-9-6-10-11/h1-5,7,10H,6H2.
What are the key properties of 2-phenyl-1,5-dihydro-1,2,4-triazole?
2-phenyl-1,5-dihydro-1,2,4-triazole has a molecular weight of 147.18 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,5-dihydro-1,2,4-triazole is sourced from PubChem (CID 89160676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).