hydroxy-oxo-(1H-1,2,4-triazol-5-ylmethoxy)phosphanium

C3H5N3O3P+ — CID 70645510

IUPAChydroxy-oxo-(1H-1,2,4-triazol-5-ylmethoxy)phosphanium
SMILESO=[P+](O)OCc1ncn[nH]1
InChIInChI=1S/C3H4N3O3P/c7-10(8)9-1-3-4-2-5-6-3/h2H,1H2,(H-,4,5,6,7,8)/p+1
InChIKeyKPYAVCLPCIBJHG-UHFFFAOYSA-O
MW162.06 g/mol
LogP-0.03
Rot. Bonds3

About hydroxy-oxo-(1H-1,2,4-triazol-5-ylmethoxy)phosphanium

hydroxy-oxo-(1H-1,2,4-triazol-5-ylmethoxy)phosphanium (PubChem CID 70645510) has the molecular formula C3H5N3O3P+ and a molecular weight of 162.06 g/mol. Its IUPAC name is hydroxy-oxo-(1H-1,2,4-triazol-5-ylmethoxy)phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(1H-1,2,4-triazol-5-ylmethoxy)phosphanium
PubChem CID70645510
Molecular FormulaC3H5N3O3P+
Molecular Weight162.06 g/mol
Exact Mass162.01
IUPAC Namehydroxy-oxo-(1H-1,2,4-triazol-5-ylmethoxy)phosphanium
SMILESO=[P+](O)OCc1ncn[nH]1
InChIInChI=1S/C3H4N3O3P/c7-10(8)9-1-3-4-2-5-6-3/h2H,1H2,(H-,4,5,6,7,8)/p+1
InChIKeyKPYAVCLPCIBJHG-UHFFFAOYSA-O
XLogP-0.03
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.06
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1H-1,2,4-triazol-5-ylmethoxymethylphosphonic acid
CID 54085779
N-ethyl-2-(1H-1,2,4-triazol-5-ylmethoxy)acetamide
CID 54369226
tert-butyl-dimethyl-(1H-1,2,4-triazol-5-ylmethoxy)silane
CID 10242322
3-(1H-1,2,4-triazol-5-yl)prop-1-en-2-ol
CID 67831911
2-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 63678962
5-[10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole
CID 169210020
2-chloro-N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]acetamide
CID 166414959
2-(1H-1,2,4-triazol-5-yl)ethanethioamide
CID 131121035
5-(2-methoxyethyl)-1H-1,2,4-triazole
CID 58490953
benzyl 4-(1H-1,2,4-triazol-5-ylmethyl)benzoate
CID 164875489
2-azaniumyl-3-(1H-1,2,4-triazol-5-yl)propanoate
CID 74699888
1-amino-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 65463843

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(1H-1,2,4-triazol-5-ylmethoxy)phosphanium?
The IUPAC name of hydroxy-oxo-(1H-1,2,4-triazol-5-ylmethoxy)phosphanium (CID 70645510) is hydroxy-oxo-(1H-1,2,4-triazol-5-ylmethoxy)phosphanium.
What is the SMILES notation for hydroxy-oxo-(1H-1,2,4-triazol-5-ylmethoxy)phosphanium?
The canonical SMILES for hydroxy-oxo-(1H-1,2,4-triazol-5-ylmethoxy)phosphanium is O=[P+](O)OCc1ncn[nH]1.
What is the InChIKey of hydroxy-oxo-(1H-1,2,4-triazol-5-ylmethoxy)phosphanium?
The InChIKey is KPYAVCLPCIBJHG-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H4N3O3P/c7-10(8)9-1-3-4-2-5-6-3/h2H,1H2,(H-,4,5,6,7,8)/p+1.
What are the key properties of hydroxy-oxo-(1H-1,2,4-triazol-5-ylmethoxy)phosphanium?
hydroxy-oxo-(1H-1,2,4-triazol-5-ylmethoxy)phosphanium has a molecular weight of 162.06 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(1H-1,2,4-triazol-5-ylmethoxy)phosphanium is sourced from PubChem (CID 70645510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).