(E)-2-hydroxy-1-(2-methyltetrazol-5-yl)prop-1-ene-1-diazonium

C5H7N6O+ — CID 135839185

IUPAC(E)-2-hydroxy-1-(2-methyltetrazol-5-yl)prop-1-ene-1-diazonium
SMILESC/C(O)=C(\[N+]#N)c1nnn(C)n1
InChIInChI=1S/C5H6N6O/c1-3(12)4(7-6)5-8-10-11(2)9-5/h1-2H3/p+1
InChIKeyZRRXXHBYPAWWDB-UHFFFAOYSA-O
MW167.15 g/mol
LogP0.31
Rot. Bonds1

About (E)-2-hydroxy-1-(2-methyltetrazol-5-yl)prop-1-ene-1-diazonium

(E)-2-hydroxy-1-(2-methyltetrazol-5-yl)prop-1-ene-1-diazonium (PubChem CID 135839185) has the molecular formula C5H7N6O+ and a molecular weight of 167.15 g/mol. Its IUPAC name is (E)-2-hydroxy-1-(2-methyltetrazol-5-yl)prop-1-ene-1-diazonium.

Molecular Properties

Compound Name(E)-2-hydroxy-1-(2-methyltetrazol-5-yl)prop-1-ene-1-diazonium
PubChem CID135839185
Molecular FormulaC5H7N6O+
Molecular Weight167.15 g/mol
Exact Mass167.07
IUPAC Name(E)-2-hydroxy-1-(2-methyltetrazol-5-yl)prop-1-ene-1-diazonium
SMILESC/C(O)=C(\[N+]#N)c1nnn(C)n1
InChIInChI=1S/C5H6N6O/c1-3(12)4(7-6)5-8-10-11(2)9-5/h1-2H3/p+1
InChIKeyZRRXXHBYPAWWDB-UHFFFAOYSA-O
XLogP0.31
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methyltetrazole-5-carboxylate
CID 15098928
2-amino-1-(2-methyltetrazol-5-yl)ethanone
CID 84648606
1-methyltetrazole-5-carboxylic acid;2-methyltetrazole-5-carboxylic acid
CID 157240342
2-methyl-2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one
CID 130834256
3-(4-fluorophenyl)-2-(2-methyltetrazol-5-yl)prop-2-enoic acid
CID 70403603
5-[diazo-(4-methoxyphenyl)methyl]-2-methyltetrazole
CID 10751919
(6-methylpyridazin-3-yl)-(2-methyltetrazol-5-yl)methanone
CID 131057776
2,5-dimethyltetrazole;ethane
CID 90989742
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyltetrazol-5-yl)methanone
CID 130979221
2-cyclobutyl-2-methyl-1-(2-methyltetrazol-5-yl)propan-1-one
CID 130680238
4-methyl-4-(2-methyltetrazol-5-yl)pentan-2-one
CID 131182144
methyl 4-[diazo-(2-methyltetrazol-5-yl)methyl]benzoate
CID 10706333

Frequently Asked Questions

What is the IUPAC name of (E)-2-hydroxy-1-(2-methyltetrazol-5-yl)prop-1-ene-1-diazonium?
The IUPAC name of (E)-2-hydroxy-1-(2-methyltetrazol-5-yl)prop-1-ene-1-diazonium (CID 135839185) is (E)-2-hydroxy-1-(2-methyltetrazol-5-yl)prop-1-ene-1-diazonium.
What is the SMILES notation for (E)-2-hydroxy-1-(2-methyltetrazol-5-yl)prop-1-ene-1-diazonium?
The canonical SMILES for (E)-2-hydroxy-1-(2-methyltetrazol-5-yl)prop-1-ene-1-diazonium is C/C(O)=C(\[N+]#N)c1nnn(C)n1.
What is the InChIKey of (E)-2-hydroxy-1-(2-methyltetrazol-5-yl)prop-1-ene-1-diazonium?
The InChIKey is ZRRXXHBYPAWWDB-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H6N6O/c1-3(12)4(7-6)5-8-10-11(2)9-5/h1-2H3/p+1.
What are the key properties of (E)-2-hydroxy-1-(2-methyltetrazol-5-yl)prop-1-ene-1-diazonium?
(E)-2-hydroxy-1-(2-methyltetrazol-5-yl)prop-1-ene-1-diazonium has a molecular weight of 167.15 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-hydroxy-1-(2-methyltetrazol-5-yl)prop-1-ene-1-diazonium is sourced from PubChem (CID 135839185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).