4-phenyldiazenylcyclohexa-1,5-diene-1,4-diamine;hydrochloride

C12H15ClN4 — CID 160755831

IUPAC4-phenyldiazenylcyclohexa-1,5-diene-1,4-diamine;hydrochloride
SMILESCl.NC1=CCC(N)(/N=N/c2ccccc2)C=C1
InChIInChI=1S/C12H14N4.ClH/c13-10-6-8-12(14,9-7-10)16-15-11-4-2-1-3-5-11;/h1-8H,9,13-14H2;1H/b16-15+;
InChIKeyMELLLOQJJWXIGU-GEEYTBSJSA-N
MW250.73 g/mol
LogP2.65
Rot. Bonds2

About 4-phenyldiazenylcyclohexa-1,5-diene-1,4-diamine;hydrochloride

4-phenyldiazenylcyclohexa-1,5-diene-1,4-diamine;hydrochloride (PubChem CID 160755831) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 4-phenyldiazenylcyclohexa-1,5-diene-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name4-phenyldiazenylcyclohexa-1,5-diene-1,4-diamine;hydrochloride
PubChem CID160755831
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name4-phenyldiazenylcyclohexa-1,5-diene-1,4-diamine;hydrochloride
SMILESCl.NC1=CCC(N)(/N=N/c2ccccc2)C=C1
InChIInChI=1S/C12H14N4.ClH/c13-10-6-8-12(14,9-7-10)16-15-11-4-2-1-3-5-11;/h1-8H,9,13-14H2;1H/b16-15+;
InChIKeyMELLLOQJJWXIGU-GEEYTBSJSA-N
XLogP2.65
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-nitrosocyclohexa-1,5-diene-1,4-diamine
CID 141458876
4-phenyldiazenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 154209959
4-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine
CID 67649794
4-[2-(methylamino)phenyl]cyclohexa-1,5-diene-1,4-diamine
CID 174573107
4-phenyldiazenylcyclohexa-1,5-diene-1,4-dicarboxylic acid
CID 141085940
4-phenylcyclohexa-1,5-diene-1,4-diamine;pyrazol-3-one
CID 174734010
4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 71332869
4-[1-(1,4-diaminocyclohexa-2,4-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,4-diamine
CID 70637229
4-methylcyclohexa-1,5-diene-1,4-diamine;naphthalene-1,5-diol
CID 160846113
diphenyldiazene;hydrofluoride
CID 174857584
4-[2-(4-amino-1-phenoxycyclohexa-2,4-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-phenoxycyclohexa-1,5-dien-1-amine
CID 121435204
1-nitro-4-phenyldiazenylcyclohexa-2,4-dien-1-ol
CID 141317059

Frequently Asked Questions

What is the IUPAC name of 4-phenyldiazenylcyclohexa-1,5-diene-1,4-diamine;hydrochloride?
The IUPAC name of 4-phenyldiazenylcyclohexa-1,5-diene-1,4-diamine;hydrochloride (CID 160755831) is 4-phenyldiazenylcyclohexa-1,5-diene-1,4-diamine;hydrochloride.
What is the SMILES notation for 4-phenyldiazenylcyclohexa-1,5-diene-1,4-diamine;hydrochloride?
The canonical SMILES for 4-phenyldiazenylcyclohexa-1,5-diene-1,4-diamine;hydrochloride is Cl.NC1=CCC(N)(/N=N/c2ccccc2)C=C1.
What is the InChIKey of 4-phenyldiazenylcyclohexa-1,5-diene-1,4-diamine;hydrochloride?
The InChIKey is MELLLOQJJWXIGU-GEEYTBSJSA-N. The full InChI is InChI=1S/C12H14N4.ClH/c13-10-6-8-12(14,9-7-10)16-15-11-4-2-1-3-5-11;/h1-8H,9,13-14H2;1H/b16-15+;.
What are the key properties of 4-phenyldiazenylcyclohexa-1,5-diene-1,4-diamine;hydrochloride?
4-phenyldiazenylcyclohexa-1,5-diene-1,4-diamine;hydrochloride has a molecular weight of 250.73 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyldiazenylcyclohexa-1,5-diene-1,4-diamine;hydrochloride is sourced from PubChem (CID 160755831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).