diethyl (1-pyridin-2-yl-1,2,4-triazol-3-yl) phosphate

C11H15N4O4P — CID 12942589

IUPACdiethyl (1-pyridin-2-yl-1,2,4-triazol-3-yl) phosphate
SMILESCCOP(=O)(OCC)Oc1ncn(-c2ccccn2)n1
InChIInChI=1S/C11H15N4O4P/c1-3-17-20(16,18-4-2)19-11-13-9-15(14-11)10-7-5-6-8-12-10/h5-9H,3-4H2,1-2H3
InChIKeyRVLZNYGWPDYBFV-UHFFFAOYSA-N
MW298.24 g/mol
LogP2.22
Rot. Bonds7

About diethyl (1-pyridin-2-yl-1,2,4-triazol-3-yl) phosphate

diethyl (1-pyridin-2-yl-1,2,4-triazol-3-yl) phosphate (PubChem CID 12942589) has the molecular formula C11H15N4O4P and a molecular weight of 298.24 g/mol. Its IUPAC name is diethyl (1-pyridin-2-yl-1,2,4-triazol-3-yl) phosphate.

Molecular Properties

Compound Namediethyl (1-pyridin-2-yl-1,2,4-triazol-3-yl) phosphate
PubChem CID12942589
Molecular FormulaC11H15N4O4P
Molecular Weight298.24 g/mol
Exact Mass298.08
IUPAC Namediethyl (1-pyridin-2-yl-1,2,4-triazol-3-yl) phosphate
SMILESCCOP(=O)(OCC)Oc1ncn(-c2ccccn2)n1
InChIInChI=1S/C11H15N4O4P/c1-3-17-20(16,18-4-2)19-11-13-9-15(14-11)10-7-5-6-8-12-10/h5-9H,3-4H2,1-2H3
InChIKeyRVLZNYGWPDYBFV-UHFFFAOYSA-N
XLogP2.22
TPSA88.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-ethoxyphenyl)-1,2,4-triazol-1-yl]pyridine
CID 166328957
chloro ethyl pyridin-2-yl phosphate
CID 21223098
2-[3-(3-ethoxyphenyl)-1,2,4-triazol-1-yl]pyridine
CID 166328958
ethoxy(pyridin-2-ylmethyl)phosphinic acid
CID 86045425
bis(2-(diethoxyphosphorylmethyl)pyridine);platinum(2+);dichloride;hydrate
CID 139065832
2-(tetrazol-1-yl)pyridine
CID 11679840
2-(2-diethoxyphosphorylethyl)pyridine
CID 11128503
3-bromo-2-(diethoxyphosphorylmethyl)pyridine
CID 169218685
[3,5-bis(diethoxyphosphoryloxy)phenyl] diethyl phosphate
CID 101168778
2-(3-ethoxy-5-methylpyrazol-1-yl)pyridine
CID 101498728
2-(diethoxyphosphorylmethylsulfonyl)pyridine
CID 23421466
2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-1-yl]pyridine
CID 166328999

Frequently Asked Questions

What is the IUPAC name of diethyl (1-pyridin-2-yl-1,2,4-triazol-3-yl) phosphate?
The IUPAC name of diethyl (1-pyridin-2-yl-1,2,4-triazol-3-yl) phosphate (CID 12942589) is diethyl (1-pyridin-2-yl-1,2,4-triazol-3-yl) phosphate.
What is the SMILES notation for diethyl (1-pyridin-2-yl-1,2,4-triazol-3-yl) phosphate?
The canonical SMILES for diethyl (1-pyridin-2-yl-1,2,4-triazol-3-yl) phosphate is CCOP(=O)(OCC)Oc1ncn(-c2ccccn2)n1.
What is the InChIKey of diethyl (1-pyridin-2-yl-1,2,4-triazol-3-yl) phosphate?
The InChIKey is RVLZNYGWPDYBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N4O4P/c1-3-17-20(16,18-4-2)19-11-13-9-15(14-11)10-7-5-6-8-12-10/h5-9H,3-4H2,1-2H3.
What are the key properties of diethyl (1-pyridin-2-yl-1,2,4-triazol-3-yl) phosphate?
diethyl (1-pyridin-2-yl-1,2,4-triazol-3-yl) phosphate has a molecular weight of 298.24 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (1-pyridin-2-yl-1,2,4-triazol-3-yl) phosphate is sourced from PubChem (CID 12942589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).