1-[(2-chlorophenoxy)-(1,2,4-triazol-1-yl)phosphoryl]-1,2,4-triazole

C10H8ClN6O2P — CID 10946851

IUPAC1-[(2-chlorophenoxy)-(1,2,4-triazol-1-yl)phosphoryl]-1,2,4-triazole
SMILESO=P(Oc1ccccc1Cl)(n1cncn1)n1cncn1
InChIInChI=1S/C10H8ClN6O2P/c11-9-3-1-2-4-10(9)19-20(18,16-7-12-5-14-16)17-8-13-6-15-17/h1-8H
InChIKeySULZNMWOSINOKT-UHFFFAOYSA-N
MW310.64 g/mol
LogP2.11
Rot. Bonds4

About 1-[(2-chlorophenoxy)-(1,2,4-triazol-1-yl)phosphoryl]-1,2,4-triazole

1-[(2-chlorophenoxy)-(1,2,4-triazol-1-yl)phosphoryl]-1,2,4-triazole (PubChem CID 10946851) has the molecular formula C10H8ClN6O2P and a molecular weight of 310.64 g/mol. Its IUPAC name is 1-[(2-chlorophenoxy)-(1,2,4-triazol-1-yl)phosphoryl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[(2-chlorophenoxy)-(1,2,4-triazol-1-yl)phosphoryl]-1,2,4-triazole
PubChem CID10946851
Molecular FormulaC10H8ClN6O2P
Molecular Weight310.64 g/mol
Exact Mass310.01
IUPAC Name1-[(2-chlorophenoxy)-(1,2,4-triazol-1-yl)phosphoryl]-1,2,4-triazole
SMILESO=P(Oc1ccccc1Cl)(n1cncn1)n1cncn1
InChIInChI=1S/C10H8ClN6O2P/c11-9-3-1-2-4-10(9)19-20(18,16-7-12-5-14-16)17-8-13-6-15-17/h1-8H
InChIKeySULZNMWOSINOKT-UHFFFAOYSA-N
XLogP2.11
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.64
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[(2-chlorophenoxy)-(1,2,4-triazol-1-yl)phosphoryl]-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenoxy)-(1,2,4-triazol-1-yl)phosphoryl]-1,2,4-triazole?
The IUPAC name of 1-[(2-chlorophenoxy)-(1,2,4-triazol-1-yl)phosphoryl]-1,2,4-triazole (CID 10946851) is 1-[(2-chlorophenoxy)-(1,2,4-triazol-1-yl)phosphoryl]-1,2,4-triazole.
What is the SMILES notation for 1-[(2-chlorophenoxy)-(1,2,4-triazol-1-yl)phosphoryl]-1,2,4-triazole?
The canonical SMILES for 1-[(2-chlorophenoxy)-(1,2,4-triazol-1-yl)phosphoryl]-1,2,4-triazole is O=P(Oc1ccccc1Cl)(n1cncn1)n1cncn1.
What is the InChIKey of 1-[(2-chlorophenoxy)-(1,2,4-triazol-1-yl)phosphoryl]-1,2,4-triazole?
The InChIKey is SULZNMWOSINOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN6O2P/c11-9-3-1-2-4-10(9)19-20(18,16-7-12-5-14-16)17-8-13-6-15-17/h1-8H.
What are the key properties of 1-[(2-chlorophenoxy)-(1,2,4-triazol-1-yl)phosphoryl]-1,2,4-triazole?
1-[(2-chlorophenoxy)-(1,2,4-triazol-1-yl)phosphoryl]-1,2,4-triazole has a molecular weight of 310.64 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenoxy)-(1,2,4-triazol-1-yl)phosphoryl]-1,2,4-triazole is sourced from PubChem (CID 10946851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).