[2-[3-(4-chlorophenyl)-5-methyl-1,2,4-triazol-1-yl]phenyl]phosphane

C15H13ClN3P — CID 145325422

IUPAC[2-[3-(4-chlorophenyl)-5-methyl-1,2,4-triazol-1-yl]phenyl]phosphane
SMILESCc1nc(-c2ccc(Cl)cc2)nn1-c1ccccc1P
InChIInChI=1S/C15H13ClN3P/c1-10-17-15(11-6-8-12(16)9-7-11)18-19(10)13-4-2-3-5-14(13)20/h2-9H,20H2,1H3
InChIKeyQLBLNBIWWVQXJX-UHFFFAOYSA-N
MW301.72 g/mol
LogP3.40
Rot. Bonds2

About [2-[3-(4-chlorophenyl)-5-methyl-1,2,4-triazol-1-yl]phenyl]phosphane

[2-[3-(4-chlorophenyl)-5-methyl-1,2,4-triazol-1-yl]phenyl]phosphane (PubChem CID 145325422) has the molecular formula C15H13ClN3P and a molecular weight of 301.72 g/mol. Its IUPAC name is [2-[3-(4-chlorophenyl)-5-methyl-1,2,4-triazol-1-yl]phenyl]phosphane.

Molecular Properties

Compound Name[2-[3-(4-chlorophenyl)-5-methyl-1,2,4-triazol-1-yl]phenyl]phosphane
PubChem CID145325422
Molecular FormulaC15H13ClN3P
Molecular Weight301.72 g/mol
Exact Mass301.05
IUPAC Name[2-[3-(4-chlorophenyl)-5-methyl-1,2,4-triazol-1-yl]phenyl]phosphane
SMILESCc1nc(-c2ccc(Cl)cc2)nn1-c1ccccc1P
InChIInChI=1S/C15H13ClN3P/c1-10-17-15(11-6-8-12(16)9-7-11)18-19(10)13-4-2-3-5-14(13)20/h2-9H,20H2,1H3
InChIKeyQLBLNBIWWVQXJX-UHFFFAOYSA-N
XLogP3.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.72
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1-(2-methylphenyl)-3-phenyl-1,2,4-triazole
CID 71073412
1-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2,4-triazole
CID 140601898
2-[5-chloro-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-4,6-dimethylpyrimidine
CID 30032648
5-methyl-1-(2,3,4,5,6-pentafluorophenyl)-3-phenyl-1,2,4-triazole
CID 24764267
3-(4-chlorophenyl)-5-(2-methylpropyl)-1-phenyl-1,2,4-triazole
CID 135019292
1-(2-methylphenyl)-3,5-diphenyl-1,2,4-triazole
CID 134846974
5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole
CID 11731192
5-(4-chlorophenyl)-3-methyl-1-phenyl-1,2,4-triazole
CID 13163603
1-[5-[3,5-bis[4-(4-methylphenyl)phenyl]-1,2,4-triazol-1-yl]naphthalen-1-yl]-3,5-bis[4-(4-methylphenyl)phenyl]-1,2,4-triazole
CID 89203630
3-(2,6-difluorophenyl)-5-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole;hydrochloride
CID 19847794
2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate
CID 6927290
2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3,5-triazine
CID 151473661

Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-chlorophenyl)-5-methyl-1,2,4-triazol-1-yl]phenyl]phosphane?
The IUPAC name of [2-[3-(4-chlorophenyl)-5-methyl-1,2,4-triazol-1-yl]phenyl]phosphane (CID 145325422) is [2-[3-(4-chlorophenyl)-5-methyl-1,2,4-triazol-1-yl]phenyl]phosphane.
What is the SMILES notation for [2-[3-(4-chlorophenyl)-5-methyl-1,2,4-triazol-1-yl]phenyl]phosphane?
The canonical SMILES for [2-[3-(4-chlorophenyl)-5-methyl-1,2,4-triazol-1-yl]phenyl]phosphane is Cc1nc(-c2ccc(Cl)cc2)nn1-c1ccccc1P.
What is the InChIKey of [2-[3-(4-chlorophenyl)-5-methyl-1,2,4-triazol-1-yl]phenyl]phosphane?
The InChIKey is QLBLNBIWWVQXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN3P/c1-10-17-15(11-6-8-12(16)9-7-11)18-19(10)13-4-2-3-5-14(13)20/h2-9H,20H2,1H3.
What are the key properties of [2-[3-(4-chlorophenyl)-5-methyl-1,2,4-triazol-1-yl]phenyl]phosphane?
[2-[3-(4-chlorophenyl)-5-methyl-1,2,4-triazol-1-yl]phenyl]phosphane has a molecular weight of 301.72 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-chlorophenyl)-5-methyl-1,2,4-triazol-1-yl]phenyl]phosphane is sourced from PubChem (CID 145325422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).