1-phosphorosooxy-1,2,4-triazole

C2H2N3O2P — CID 175546288

IUPAC1-phosphorosooxy-1,2,4-triazole
SMILESO=POn1cncn1
InChIInChI=1S/C2H2N3O2P/c6-8-7-5-2-3-1-4-5/h1-2H
InChIKeyQVPANETZVRNWMY-UHFFFAOYSA-N
MW131.03 g/mol
LogP-0.09
Rot. Bonds2

About 1-phosphorosooxy-1,2,4-triazole

1-phosphorosooxy-1,2,4-triazole (PubChem CID 175546288) has the molecular formula C2H2N3O2P and a molecular weight of 131.03 g/mol. Its IUPAC name is 1-phosphorosooxy-1,2,4-triazole.

Molecular Properties

Compound Name1-phosphorosooxy-1,2,4-triazole
PubChem CID175546288
Molecular FormulaC2H2N3O2P
Molecular Weight131.03 g/mol
Exact Mass130.99
IUPAC Name1-phosphorosooxy-1,2,4-triazole
SMILESO=POn1cncn1
InChIInChI=1S/C2H2N3O2P/c6-8-7-5-2-3-1-4-5/h1-2H
InChIKeyQVPANETZVRNWMY-UHFFFAOYSA-N
XLogP-0.09
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.03
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethenoxy-1,2,4-triazole
CID 150062689
sulfanyl-tris(1,2,4-triazol-1-yl)phosphanium
CID 88575659
1,2,4-triazole-1-carboperoxoic acid
CID 101006076
hydroxy-oxo-[3-(1,2,4-triazol-1-yl)prop-2-enoxy]phosphanium
CID 70465553
1,2,4-triazol-1-yltin(3+)
CID 23046012
1,2,4-triazol-1-ylsilane
CID 123696978
1,2,4-triazol-1-yl 3-pyridin-3-ylprop-2-enoate
CID 175295238
ethane;1-methyl-1,2,4-triazole
CID 90745402
sodium;2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one;hydroxide
CID 140668472
(4-methoxyphenyl)-(1,2,4-triazol-1-yl)methanone
CID 694174
N,N-dimethyl-1-(1,2,4-triazol-1-yl)methanamine;vanadium
CID 161276001
1,2,4-triazol-1-ylmethylphosphane
CID 67877171

Frequently Asked Questions

What is the IUPAC name of 1-phosphorosooxy-1,2,4-triazole?
The IUPAC name of 1-phosphorosooxy-1,2,4-triazole (CID 175546288) is 1-phosphorosooxy-1,2,4-triazole.
What is the SMILES notation for 1-phosphorosooxy-1,2,4-triazole?
The canonical SMILES for 1-phosphorosooxy-1,2,4-triazole is O=POn1cncn1.
What is the InChIKey of 1-phosphorosooxy-1,2,4-triazole?
The InChIKey is QVPANETZVRNWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N3O2P/c6-8-7-5-2-3-1-4-5/h1-2H.
What are the key properties of 1-phosphorosooxy-1,2,4-triazole?
1-phosphorosooxy-1,2,4-triazole has a molecular weight of 131.03 g/mol, XLogP of -0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphorosooxy-1,2,4-triazole is sourced from PubChem (CID 175546288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).