[(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium

C8H12N4O5P+ — CID 146511897

IUPAC[(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium
SMILESNC(=O)c1ncn([C@H]2CC[C@@H](CO[P+](=O)O)O2)n1
InChIInChI=1S/C8H11N4O5P/c9-7(13)8-10-4-12(11-8)6-2-1-5(17-6)3-16-18(14)15/h4-6H,1-3H2,(H2-,9,13,14,15)/p+1/t5-,6+/m0/s1
InChIKeyGWHDHRICLQLFPE-NTSWFWBYSA-O
MW275.18 g/mol
LogP-0.28
Rot. Bonds5

About [(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium

[(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium (PubChem CID 146511897) has the molecular formula C8H12N4O5P+ and a molecular weight of 275.18 g/mol. Its IUPAC name is [(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium
PubChem CID146511897
Molecular FormulaC8H12N4O5P+
Molecular Weight275.18 g/mol
Exact Mass275.05
IUPAC Name[(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium
SMILESNC(=O)c1ncn([C@H]2CC[C@@H](CO[P+](=O)O)O2)n1
InChIInChI=1S/C8H11N4O5P/c9-7(13)8-10-4-12(11-8)6-2-1-5(17-6)3-16-18(14)15/h4-6H,1-3H2,(H2-,9,13,14,15)/p+1/t5-,6+/m0/s1
InChIKeyGWHDHRICLQLFPE-NTSWFWBYSA-O
XLogP-0.28
TPSA129.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium?
The IUPAC name of [(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium (CID 146511897) is [(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium.
What is the SMILES notation for [(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium?
The canonical SMILES for [(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium is NC(=O)c1ncn([C@H]2CC[C@@H](CO[P+](=O)O)O2)n1.
What is the InChIKey of [(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium?
The InChIKey is GWHDHRICLQLFPE-NTSWFWBYSA-O. The full InChI is InChI=1S/C8H11N4O5P/c9-7(13)8-10-4-12(11-8)6-2-1-5(17-6)3-16-18(14)15/h4-6H,1-3H2,(H2-,9,13,14,15)/p+1/t5-,6+/m0/s1.
What are the key properties of [(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium?
[(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium has a molecular weight of 275.18 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 146511897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).