4-diazo-2,3-diethylcyclohexa-2,5-dien-1-amine;zinc;hydrochloride

C10H16ClN3Zn — CID 173408665

IUPAC4-diazo-2,3-diethylcyclohexa-2,5-dien-1-amine;zinc;hydrochloride
SMILESCCC1=C(CC)C(N)C=CC1=[N+]=[N-].Cl.[Zn]
InChIInChI=1S/C10H15N3.ClH.Zn/c1-3-7-8(4-2)10(13-12)6-5-9(7)11;;/h5-6,9H,3-4,11H2,1-2H3;1H;
InChIKeyWGMIXCLTVRCBMP-UHFFFAOYSA-N
MW279.10 g/mol
LogP2.09
Rot. Bonds2

About 4-diazo-2,3-diethylcyclohexa-2,5-dien-1-amine;zinc;hydrochloride

4-diazo-2,3-diethylcyclohexa-2,5-dien-1-amine;zinc;hydrochloride (PubChem CID 173408665) has the molecular formula C10H16ClN3Zn and a molecular weight of 279.10 g/mol. Its IUPAC name is 4-diazo-2,3-diethylcyclohexa-2,5-dien-1-amine;zinc;hydrochloride.

Molecular Properties

Compound Name4-diazo-2,3-diethylcyclohexa-2,5-dien-1-amine;zinc;hydrochloride
PubChem CID173408665
Molecular FormulaC10H16ClN3Zn
Molecular Weight279.10 g/mol
Exact Mass277.03
IUPAC Name4-diazo-2,3-diethylcyclohexa-2,5-dien-1-amine;zinc;hydrochloride
SMILESCCC1=C(CC)C(N)C=CC1=[N+]=[N-].Cl.[Zn]
InChIInChI=1S/C10H15N3.ClH.Zn/c1-3-7-8(4-2)10(13-12)6-5-9(7)11;;/h5-6,9H,3-4,11H2,1-2H3;1H;
InChIKeyWGMIXCLTVRCBMP-UHFFFAOYSA-N
XLogP2.09
TPSA62.42 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.10
LogP ≤ 52.09
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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Frequently Asked Questions

What is the IUPAC name of 4-diazo-2,3-diethylcyclohexa-2,5-dien-1-amine;zinc;hydrochloride?
The IUPAC name of 4-diazo-2,3-diethylcyclohexa-2,5-dien-1-amine;zinc;hydrochloride (CID 173408665) is 4-diazo-2,3-diethylcyclohexa-2,5-dien-1-amine;zinc;hydrochloride.
What is the SMILES notation for 4-diazo-2,3-diethylcyclohexa-2,5-dien-1-amine;zinc;hydrochloride?
The canonical SMILES for 4-diazo-2,3-diethylcyclohexa-2,5-dien-1-amine;zinc;hydrochloride is CCC1=C(CC)C(N)C=CC1=[N+]=[N-].Cl.[Zn].
What is the InChIKey of 4-diazo-2,3-diethylcyclohexa-2,5-dien-1-amine;zinc;hydrochloride?
The InChIKey is WGMIXCLTVRCBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.ClH.Zn/c1-3-7-8(4-2)10(13-12)6-5-9(7)11;;/h5-6,9H,3-4,11H2,1-2H3;1H;.
What are the key properties of 4-diazo-2,3-diethylcyclohexa-2,5-dien-1-amine;zinc;hydrochloride?
4-diazo-2,3-diethylcyclohexa-2,5-dien-1-amine;zinc;hydrochloride has a molecular weight of 279.10 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazo-2,3-diethylcyclohexa-2,5-dien-1-amine;zinc;hydrochloride is sourced from PubChem (CID 173408665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).