2-(2H-tetrazol-5-yl)ethylphosphonic acid

C3H7N4O3P — CID 58953032

IUPAC2-(2H-tetrazol-5-yl)ethylphosphonic acid
SMILESO=P(O)(O)CCc1nn[nH]n1
InChIInChI=1S/C3H7N4O3P/c8-11(9,10)2-1-3-4-6-7-5-3/h1-2H2,(H2,8,9,10)(H,4,5,6,7)
InChIKeyXPLKKCREAUJHKB-UHFFFAOYSA-N
MW178.09 g/mol
LogP-1.08
Rot. Bonds3

About 2-(2H-tetrazol-5-yl)ethylphosphonic acid

2-(2H-tetrazol-5-yl)ethylphosphonic acid (PubChem CID 58953032) has the molecular formula C3H7N4O3P and a molecular weight of 178.09 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)ethylphosphonic acid.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)ethylphosphonic acid
PubChem CID58953032
Molecular FormulaC3H7N4O3P
Molecular Weight178.09 g/mol
Exact Mass178.03
IUPAC Name2-(2H-tetrazol-5-yl)ethylphosphonic acid
SMILESO=P(O)(O)CCc1nn[nH]n1
InChIInChI=1S/C3H7N4O3P/c8-11(9,10)2-1-3-4-6-7-5-3/h1-2H2,(H2,8,9,10)(H,4,5,6,7)
InChIKeyXPLKKCREAUJHKB-UHFFFAOYSA-N
XLogP-1.08
TPSA111.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.09
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole
CID 172619754
5-(2-iodoethyl)-2H-tetrazole
CID 118328240
5-(3-fluoropropyl)-2H-tetrazole
CID 81109495
5-[2-[2-[2-(2H-tetrazol-5-yl)ethoxy]ethoxy]ethyl]-2H-tetrazole
CID 13101701
tris(5-bromo-2H-tetrazole);phosphoric acid
CID 175017486
1-amino-5-(2H-tetrazol-5-yl)pentan-2-one
CID 167627003
5-(5-methylhexyl)-2H-tetrazole
CID 21044006
2-(2H-tetrazol-5-yl)-N-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]acetamide
CID 22307052
hydron;2-(2H-tetrazol-5-yl)acetic acid
CID 174732621
lanthanum;tris(2-(2H-tetrazol-5-yl)acetic acid)
CID 156633731
5-pentyl-2H-tetrazole
CID 139080284
1-amino-6-(2H-tetrazol-5-yl)hexan-3-one
CID 167706452

Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-yl)ethylphosphonic acid?
The IUPAC name of 2-(2H-tetrazol-5-yl)ethylphosphonic acid (CID 58953032) is 2-(2H-tetrazol-5-yl)ethylphosphonic acid.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)ethylphosphonic acid?
The canonical SMILES for 2-(2H-tetrazol-5-yl)ethylphosphonic acid is O=P(O)(O)CCc1nn[nH]n1.
What is the InChIKey of 2-(2H-tetrazol-5-yl)ethylphosphonic acid?
The InChIKey is XPLKKCREAUJHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N4O3P/c8-11(9,10)2-1-3-4-6-7-5-3/h1-2H2,(H2,8,9,10)(H,4,5,6,7).
What are the key properties of 2-(2H-tetrazol-5-yl)ethylphosphonic acid?
2-(2H-tetrazol-5-yl)ethylphosphonic acid has a molecular weight of 178.09 g/mol, XLogP of -1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-yl)ethylphosphonic acid is sourced from PubChem (CID 58953032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).