amino sulfo 2H-tetrazol-5-yl phosphate

CH4N5O7PS — CID 141141027

IUPACamino sulfo 2H-tetrazol-5-yl phosphate
SMILESNOP(=O)(Oc1nn[nH]n1)OS(=O)(=O)O
InChIInChI=1S/CH4N5O7PS/c2-12-14(7,13-15(8,9)10)11-1-3-5-6-4-1/h2H2,(H,8,9,10)(H,3,4,5,6)
InChIKeySULOKLSCUZSUPE-UHFFFAOYSA-N
MW261.11 g/mol
LogP-1.60
Rot. Bonds5

About amino sulfo 2H-tetrazol-5-yl phosphate

amino sulfo 2H-tetrazol-5-yl phosphate (PubChem CID 141141027) has the molecular formula CH4N5O7PS and a molecular weight of 261.11 g/mol. Its IUPAC name is amino sulfo 2H-tetrazol-5-yl phosphate.

Molecular Properties

Compound Nameamino sulfo 2H-tetrazol-5-yl phosphate
PubChem CID141141027
Molecular FormulaCH4N5O7PS
Molecular Weight261.11 g/mol
Exact Mass260.96
IUPAC Nameamino sulfo 2H-tetrazol-5-yl phosphate
SMILESNOP(=O)(Oc1nn[nH]n1)OS(=O)(=O)O
InChIInChI=1S/CH4N5O7PS/c2-12-14(7,13-15(8,9)10)11-1-3-5-6-4-1/h2H2,(H,8,9,10)(H,3,4,5,6)
InChIKeySULOKLSCUZSUPE-UHFFFAOYSA-N
XLogP-1.60
TPSA179.61 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze amino sulfo 2H-tetrazol-5-yl phosphate with MolForge

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

Launch Full Analysis

Related Compounds

2H-tetrazol-5-yloxymethanethioic S-acid
CID 174452682
2H-tetrazol-5-yl formate
CID 19939000
2H-tetrazol-5-yl prop-2-enoate
CID 19986209
diaminophosphoryl hydrogen sulfate
CID 174774826
[hydroxy(sulfooxy)phosphoryl]oxymethanethioic S-acid
CID 138756853
2-bromo-2-(2H-tetrazol-5-yl)acetic acid
CID 19377646
nitro sulfo hydrogen phosphate
CID 154295491
tris(5-bromo-2H-tetrazole);phosphoric acid
CID 175017486
5-[(2-methylpropan-2-yl)oxy]-2H-tetrazole
CID 59000184
5-(2H-tetrazol-5-ylsulfonyl)-2H-tetrazole
CID 87453730
(2-amino-2-sulfanylideneethyl) hydrogen sulfate
CID 175795767
sulfooxy hydrogen sulfate;hydrobromide
CID 172791848

Frequently Asked Questions

What is the IUPAC name of amino sulfo 2H-tetrazol-5-yl phosphate?
The IUPAC name of amino sulfo 2H-tetrazol-5-yl phosphate (CID 141141027) is amino sulfo 2H-tetrazol-5-yl phosphate.
What is the SMILES notation for amino sulfo 2H-tetrazol-5-yl phosphate?
The canonical SMILES for amino sulfo 2H-tetrazol-5-yl phosphate is NOP(=O)(Oc1nn[nH]n1)OS(=O)(=O)O.
What is the InChIKey of amino sulfo 2H-tetrazol-5-yl phosphate?
The InChIKey is SULOKLSCUZSUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N5O7PS/c2-12-14(7,13-15(8,9)10)11-1-3-5-6-4-1/h2H2,(H,8,9,10)(H,3,4,5,6).
What are the key properties of amino sulfo 2H-tetrazol-5-yl phosphate?
amino sulfo 2H-tetrazol-5-yl phosphate has a molecular weight of 261.11 g/mol, XLogP of -1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for amino sulfo 2H-tetrazol-5-yl phosphate is sourced from PubChem (CID 141141027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).