4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;sulfuric acid

C10H17N3O4S — CID 88506539

IUPAC4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;sulfuric acid
SMILESCCN(CC)C1=CCC(=[N+]=[N-])C=C1.O=S(=O)(O)O
InChIInChI=1S/C10H15N3.H2O4S/c1-3-13(4-2)10-7-5-9(12-11)6-8-10;1-5(2,3)4/h5,7-8H,3-4,6H2,1-2H3;(H2,1,2,3,4)
InChIKeyDEDHDQADNGZAKL-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.19
Rot. Bonds3

About 4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;sulfuric acid

4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;sulfuric acid (PubChem CID 88506539) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;sulfuric acid.

Molecular Properties

Compound Name4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;sulfuric acid
PubChem CID88506539
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;sulfuric acid
SMILESCCN(CC)C1=CCC(=[N+]=[N-])C=C1.O=S(=O)(O)O
InChIInChI=1S/C10H15N3.H2O4S/c1-3-13(4-2)10-7-5-9(12-11)6-8-10;1-5(2,3)4/h5,7-8H,3-4,6H2,1-2H3;(H2,1,2,3,4)
InChIKeyDEDHDQADNGZAKL-UHFFFAOYSA-N
XLogP1.19
TPSA114.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;sulfuric acid?
The IUPAC name of 4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;sulfuric acid (CID 88506539) is 4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;sulfuric acid.
What is the SMILES notation for 4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;sulfuric acid?
The canonical SMILES for 4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;sulfuric acid is CCN(CC)C1=CCC(=[N+]=[N-])C=C1.O=S(=O)(O)O.
What is the InChIKey of 4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;sulfuric acid?
The InChIKey is DEDHDQADNGZAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.H2O4S/c1-3-13(4-2)10-7-5-9(12-11)6-8-10;1-5(2,3)4/h5,7-8H,3-4,6H2,1-2H3;(H2,1,2,3,4).
What are the key properties of 4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;sulfuric acid?
4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;sulfuric acid has a molecular weight of 275.33 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;sulfuric acid is sourced from PubChem (CID 88506539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).