(1-hydroxytriazol-4-yl)phosphane

C2H4N3OP — CID 57113709

IUPAC(1-hydroxytriazol-4-yl)phosphane
SMILESOn1cc(P)nn1
InChIInChI=1S/C2H4N3OP/c6-5-1-2(7)3-4-5/h1,6H,7H2
InChIKeyCQZWQWNGDTYDIP-UHFFFAOYSA-N
MW117.05 g/mol
LogP-0.98
Rot. Bonds

About (1-hydroxytriazol-4-yl)phosphane

(1-hydroxytriazol-4-yl)phosphane (PubChem CID 57113709) has the molecular formula C2H4N3OP and a molecular weight of 117.05 g/mol. Its IUPAC name is (1-hydroxytriazol-4-yl)phosphane.

Molecular Properties

Compound Name(1-hydroxytriazol-4-yl)phosphane
PubChem CID57113709
Molecular FormulaC2H4N3OP
Molecular Weight117.05 g/mol
Exact Mass117.01
IUPAC Name(1-hydroxytriazol-4-yl)phosphane
SMILESOn1cc(P)nn1
InChIInChI=1S/C2H4N3OP/c6-5-1-2(7)3-4-5/h1,6H,7H2
InChIKeyCQZWQWNGDTYDIP-UHFFFAOYSA-N
XLogP-0.98
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.05
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxytriazol-4-yl)phosphane?
The IUPAC name of (1-hydroxytriazol-4-yl)phosphane (CID 57113709) is (1-hydroxytriazol-4-yl)phosphane.
What is the SMILES notation for (1-hydroxytriazol-4-yl)phosphane?
The canonical SMILES for (1-hydroxytriazol-4-yl)phosphane is On1cc(P)nn1.
What is the InChIKey of (1-hydroxytriazol-4-yl)phosphane?
The InChIKey is CQZWQWNGDTYDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N3OP/c6-5-1-2(7)3-4-5/h1,6H,7H2.
What are the key properties of (1-hydroxytriazol-4-yl)phosphane?
(1-hydroxytriazol-4-yl)phosphane has a molecular weight of 117.05 g/mol, XLogP of -0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxytriazol-4-yl)phosphane is sourced from PubChem (CID 57113709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).