1-diazenylbut-1-ene-2-diazonium

C4H7N4+ — CID 57026800

IUPAC1-diazenylbut-1-ene-2-diazonium
SMILES[H]/N=N/C=C(CC)[N+]#N
InChIInChI=1S/C4H7N4/c1-2-4(8-6)3-7-5/h3,5H,2H2,1H3/q+1/b4-3?,7-5+
InChIKeyUOVYJOOWXQUPEB-LDPJEHJDSA-N
MW111.13 g/mol
LogP2.12
Rot. Bonds2

About 1-diazenylbut-1-ene-2-diazonium

1-diazenylbut-1-ene-2-diazonium (PubChem CID 57026800) has the molecular formula C4H7N4+ and a molecular weight of 111.13 g/mol. Its IUPAC name is 1-diazenylbut-1-ene-2-diazonium.

Molecular Properties

Compound Name1-diazenylbut-1-ene-2-diazonium
PubChem CID57026800
Molecular FormulaC4H7N4+
Molecular Weight111.13 g/mol
Exact Mass111.07
IUPAC Name1-diazenylbut-1-ene-2-diazonium
SMILES[H]/N=N/C=C(CC)[N+]#N
InChIInChI=1S/C4H7N4/c1-2-4(8-6)3-7-5/h3,5H,2H2,1H3/q+1/b4-3?,7-5+
InChIKeyUOVYJOOWXQUPEB-LDPJEHJDSA-N
XLogP2.12
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.13
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-diazenyl-1-trimethylsilylethenediazonium
CID 91187922
ethanol;formazan
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2-diazenylethenediazonium
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N-ethyl-N-(methyliminomethyl)propanimidamide
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diazenyl 3-diazenyl-2-methylprop-2-enoate
CID 91240647
prop-1-enyldiazene
CID 20770475
N-(2-methylidenebutylidene)methanimidamide
CID 143879593
formazan;nonane
CID 160965853
2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminopropanimidate
CID 130223869
N-ethylethanamine;formazan;hydrochloride
CID 172862679
N-oxopropanimidamide
CID 174117199
formazan;propan-2-one
CID 157309137

Frequently Asked Questions

What is the IUPAC name of 1-diazenylbut-1-ene-2-diazonium?
The IUPAC name of 1-diazenylbut-1-ene-2-diazonium (CID 57026800) is 1-diazenylbut-1-ene-2-diazonium.
What is the SMILES notation for 1-diazenylbut-1-ene-2-diazonium?
The canonical SMILES for 1-diazenylbut-1-ene-2-diazonium is [H]/N=N/C=C(CC)[N+]#N.
What is the InChIKey of 1-diazenylbut-1-ene-2-diazonium?
The InChIKey is UOVYJOOWXQUPEB-LDPJEHJDSA-N. The full InChI is InChI=1S/C4H7N4/c1-2-4(8-6)3-7-5/h3,5H,2H2,1H3/q+1/b4-3?,7-5+.
What are the key properties of 1-diazenylbut-1-ene-2-diazonium?
1-diazenylbut-1-ene-2-diazonium has a molecular weight of 111.13 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazenylbut-1-ene-2-diazonium is sourced from PubChem (CID 57026800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).