zinc;6-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dichloride

C10H14Cl3N3Zn — CID 19099211

IUPACzinc;6-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dichloride
SMILESCCN(CC)C1=CCC(=[N+]=[N-])C=C1Cl.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C10H14ClN3.2ClH.Zn/c1-3-14(4-2)10-6-5-8(13-12)7-9(10)11;;;/h6-7H,3-5H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyMMJFKEUPUJCJPA-UHFFFAOYSA-L
MW347.99 g/mol
LogP-3.59
Rot. Bonds3

About zinc;6-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dichloride

zinc;6-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dichloride (PubChem CID 19099211) has the molecular formula C10H14Cl3N3Zn and a molecular weight of 347.99 g/mol. Its IUPAC name is zinc;6-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dichloride.

Molecular Properties

Compound Namezinc;6-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dichloride
PubChem CID19099211
Molecular FormulaC10H14Cl3N3Zn
Molecular Weight347.99 g/mol
Exact Mass344.95
IUPAC Namezinc;6-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dichloride
SMILESCCN(CC)C1=CCC(=[N+]=[N-])C=C1Cl.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C10H14ClN3.2ClH.Zn/c1-3-14(4-2)10-6-5-8(13-12)7-9(10)11;;;/h6-7H,3-5H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyMMJFKEUPUJCJPA-UHFFFAOYSA-L
XLogP-3.59
TPSA39.64 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.99
LogP ≤ 5-3.59
H-Bond Donors ≤ 50
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 zinc;6-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dichloride?
The IUPAC name of zinc;6-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dichloride (CID 19099211) is zinc;6-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dichloride.
What is the SMILES notation for zinc;6-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dichloride?
The canonical SMILES for zinc;6-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dichloride is CCN(CC)C1=CCC(=[N+]=[N-])C=C1Cl.[Cl-].[Cl-].[Zn+2].
What is the InChIKey of zinc;6-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dichloride?
The InChIKey is MMJFKEUPUJCJPA-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H14ClN3.2ClH.Zn/c1-3-14(4-2)10-6-5-8(13-12)7-9(10)11;;;/h6-7H,3-5H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of zinc;6-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dichloride?
zinc;6-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dichloride has a molecular weight of 347.99 g/mol, XLogP of -3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;6-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dichloride is sourced from PubChem (CID 19099211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).