zinc;6-diazo-N-phenylcyclohexa-2,4-dien-1-amine;dichloride

C12H11Cl2N3Zn — CID 159688533

IUPACzinc;6-diazo-N-phenylcyclohexa-2,4-dien-1-amine;dichloride
SMILES[Cl-].[Cl-].[N-]=[N+]=C1C=CC=CC1Nc1ccccc1.[Zn+2]
InChIInChI=1S/C12H11N3.2ClH.Zn/c13-15-12-9-5-4-8-11(12)14-10-6-2-1-3-7-10;;;/h1-9,11,14H;2*1H;/q;;;+2/p-2
InChIKeyMWCPHACLVFHANC-UHFFFAOYSA-L
MW333.54 g/mol
LogP-3.73
Rot. Bonds2

About zinc;6-diazo-N-phenylcyclohexa-2,4-dien-1-amine;dichloride

zinc;6-diazo-N-phenylcyclohexa-2,4-dien-1-amine;dichloride (PubChem CID 159688533) has the molecular formula C12H11Cl2N3Zn and a molecular weight of 333.54 g/mol. Its IUPAC name is zinc;6-diazo-N-phenylcyclohexa-2,4-dien-1-amine;dichloride.

Molecular Properties

Compound Namezinc;6-diazo-N-phenylcyclohexa-2,4-dien-1-amine;dichloride
PubChem CID159688533
Molecular FormulaC12H11Cl2N3Zn
Molecular Weight333.54 g/mol
Exact Mass330.96
IUPAC Namezinc;6-diazo-N-phenylcyclohexa-2,4-dien-1-amine;dichloride
SMILES[Cl-].[Cl-].[N-]=[N+]=C1C=CC=CC1Nc1ccccc1.[Zn+2]
InChIInChI=1S/C12H11N3.2ClH.Zn/c13-15-12-9-5-4-8-11(12)14-10-6-2-1-3-7-10;;;/h1-9,11,14H;2*1H;/q;;;+2/p-2
InChIKeyMWCPHACLVFHANC-UHFFFAOYSA-L
XLogP-3.73
TPSA48.43 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.54
LogP ≤ 5-3.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

6-diazo-N-phenylcyclohexa-2,4-dien-1-amine;formaldehyde
CID 87225473
N-(6-diazocyclohexa-2,4-dien-1-yl)nitramide
CID 154244873
3-anilino-3H-pyridin-2-one
CID 91536770
9-diazo-9aH-dibenzofuran
CID 118236164
zinc;N-(2-diazoethyl)aniline;dichloride
CID 173405510
N-cyclopropylaniline;hydrochloride
CID 44717153
2,2,4,4-tetramethyl-1-N,3-N-diphenylcyclobutane-1,3-diamine
CID 518954
(6-phenyldiazenylcyclohexa-2,4-dien-1-ylidene)methylhydrazine
CID 135799858
(1R)-6,6-dinitro-N-phenylcyclohexa-2,4-dien-1-amine
CID 124639754
2-N-phenyl-1-propan-2-ylcyclohexa-3,5-diene-1,2-diamine
CID 172709341
cis-(1R,2S)-1-N,2-N-diphenylcyclohexane-1,2-diamine
CID 142660752
4-N-[4-(4-anilinoanilino)cyclohexa-1,5-dien-1-yl]-1-N-cyclohexa-2,4-dien-1-ylbenzene-1,4-diamine
CID 163414303

Frequently Asked Questions

What is the IUPAC name of zinc;6-diazo-N-phenylcyclohexa-2,4-dien-1-amine;dichloride?
The IUPAC name of zinc;6-diazo-N-phenylcyclohexa-2,4-dien-1-amine;dichloride (CID 159688533) is zinc;6-diazo-N-phenylcyclohexa-2,4-dien-1-amine;dichloride.
What is the SMILES notation for zinc;6-diazo-N-phenylcyclohexa-2,4-dien-1-amine;dichloride?
The canonical SMILES for zinc;6-diazo-N-phenylcyclohexa-2,4-dien-1-amine;dichloride is [Cl-].[Cl-].[N-]=[N+]=C1C=CC=CC1Nc1ccccc1.[Zn+2].
What is the InChIKey of zinc;6-diazo-N-phenylcyclohexa-2,4-dien-1-amine;dichloride?
The InChIKey is MWCPHACLVFHANC-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H11N3.2ClH.Zn/c13-15-12-9-5-4-8-11(12)14-10-6-2-1-3-7-10;;;/h1-9,11,14H;2*1H;/q;;;+2/p-2.
What are the key properties of zinc;6-diazo-N-phenylcyclohexa-2,4-dien-1-amine;dichloride?
zinc;6-diazo-N-phenylcyclohexa-2,4-dien-1-amine;dichloride has a molecular weight of 333.54 g/mol, XLogP of -3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;6-diazo-N-phenylcyclohexa-2,4-dien-1-amine;dichloride is sourced from PubChem (CID 159688533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).