1H-1,2,4-triazole;trichlorophosphane

C2H3Cl3N3P — CID 174851346

IUPAC1H-1,2,4-triazole;trichlorophosphane
SMILESClP(Cl)Cl.c1nc[nH]n1
InChIInChI=1S/C2H3N3.Cl3P/c1-3-2-5-4-1;1-4(2)3/h1-2H,(H,3,4,5);
InChIKeyINWNGUQDKVBQMZ-UHFFFAOYSA-N
MW206.40 g/mol
LogP2.73
Rot. Bonds

About 1H-1,2,4-triazole;trichlorophosphane

1H-1,2,4-triazole;trichlorophosphane (PubChem CID 174851346) has the molecular formula C2H3Cl3N3P and a molecular weight of 206.40 g/mol. Its IUPAC name is 1H-1,2,4-triazole;trichlorophosphane.

Molecular Properties

Compound Name1H-1,2,4-triazole;trichlorophosphane
PubChem CID174851346
Molecular FormulaC2H3Cl3N3P
Molecular Weight206.40 g/mol
Exact Mass204.91
IUPAC Name1H-1,2,4-triazole;trichlorophosphane
SMILESClP(Cl)Cl.c1nc[nH]n1
InChIInChI=1S/C2H3N3.Cl3P/c1-3-2-5-4-1;1-4(2)3/h1-2H,(H,3,4,5);
InChIKeyINWNGUQDKVBQMZ-UHFFFAOYSA-N
XLogP2.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1H-1,2,4-triazole;trichlorophosphane?
The IUPAC name of 1H-1,2,4-triazole;trichlorophosphane (CID 174851346) is 1H-1,2,4-triazole;trichlorophosphane.
What is the SMILES notation for 1H-1,2,4-triazole;trichlorophosphane?
The canonical SMILES for 1H-1,2,4-triazole;trichlorophosphane is ClP(Cl)Cl.c1nc[nH]n1.
What is the InChIKey of 1H-1,2,4-triazole;trichlorophosphane?
The InChIKey is INWNGUQDKVBQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N3.Cl3P/c1-3-2-5-4-1;1-4(2)3/h1-2H,(H,3,4,5);.
What are the key properties of 1H-1,2,4-triazole;trichlorophosphane?
1H-1,2,4-triazole;trichlorophosphane has a molecular weight of 206.40 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,2,4-triazole;trichlorophosphane is sourced from PubChem (CID 174851346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).