[(2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid

C5H10N3O4P — CID 122172814

IUPAC[(2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid
SMILESO=P(O)(O)C[C@H](O)Cn1cncn1
InChIInChI=1S/C5H10N3O4P/c9-5(2-13(10,11)12)1-8-4-6-3-7-8/h3-5,9H,1-2H2,(H2,10,11,12)/t5-/m1/s1
InChIKeyZXKJPBBOMRHTCH-RXMQYKEDSA-N
MW207.13 g/mol
LogP-1.18
Rot. Bonds4

About [(2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid

[(2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid (PubChem CID 122172814) has the molecular formula C5H10N3O4P and a molecular weight of 207.13 g/mol. Its IUPAC name is [(2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid.

Molecular Properties

Compound Name[(2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid
PubChem CID122172814
Molecular FormulaC5H10N3O4P
Molecular Weight207.13 g/mol
Exact Mass207.04
IUPAC Name[(2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid
SMILESO=P(O)(O)C[C@H](O)Cn1cncn1
InChIInChI=1S/C5H10N3O4P/c9-5(2-13(10,11)12)1-8-4-6-3-7-8/h3-5,9H,1-2H2,(H2,10,11,12)/t5-/m1/s1
InChIKeyZXKJPBBOMRHTCH-RXMQYKEDSA-N
XLogP-1.18
TPSA108.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.13
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid?
The IUPAC name of [(2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid (CID 122172814) is [(2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid.
What is the SMILES notation for [(2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid?
The canonical SMILES for [(2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid is O=P(O)(O)C[C@H](O)Cn1cncn1.
What is the InChIKey of [(2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid?
The InChIKey is ZXKJPBBOMRHTCH-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H10N3O4P/c9-5(2-13(10,11)12)1-8-4-6-3-7-8/h3-5,9H,1-2H2,(H2,10,11,12)/t5-/m1/s1.
What are the key properties of [(2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid?
[(2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid has a molecular weight of 207.13 g/mol, XLogP of -1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid is sourced from PubChem (CID 122172814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).