4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium

C10H17CrN3O4 — CID 19805263

IUPAC4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium
SMILESCCN(CC)C1=CCC(=[N+]=[N-])C=C1.O=[Cr](=O)(O)O
InChIInChI=1S/C10H15N3.Cr.2H2O.2O/c1-3-13(4-2)10-7-5-9(12-11)6-8-10;;;;;/h5,7-8H,3-4,6H2,1-2H3;;2*1H2;;/q;+2;;;;/p-2
InChIKeyARQXUABHIOHRBC-UHFFFAOYSA-L
MW295.26 g/mol
LogP0.49
Rot. Bonds3

About 4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium

4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium (PubChem CID 19805263) has the molecular formula C10H17CrN3O4 and a molecular weight of 295.26 g/mol. Its IUPAC name is 4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium.

Molecular Properties

Compound Name4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium
PubChem CID19805263
Molecular FormulaC10H17CrN3O4
Molecular Weight295.26 g/mol
Exact Mass295.06
IUPAC Name4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium
SMILESCCN(CC)C1=CCC(=[N+]=[N-])C=C1.O=[Cr](=O)(O)O
InChIInChI=1S/C10H15N3.Cr.2H2O.2O/c1-3-13(4-2)10-7-5-9(12-11)6-8-10;;;;;/h5,7-8H,3-4,6H2,1-2H3;;2*1H2;;/q;+2;;;;/p-2
InChIKeyARQXUABHIOHRBC-UHFFFAOYSA-L
XLogP0.49
TPSA114.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 50.49
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium?
The IUPAC name of 4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium (CID 19805263) is 4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium.
What is the SMILES notation for 4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium?
The canonical SMILES for 4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium is CCN(CC)C1=CCC(=[N+]=[N-])C=C1.O=[Cr](=O)(O)O.
What is the InChIKey of 4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium?
The InChIKey is ARQXUABHIOHRBC-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H15N3.Cr.2H2O.2O/c1-3-13(4-2)10-7-5-9(12-11)6-8-10;;;;;/h5,7-8H,3-4,6H2,1-2H3;;2*1H2;;/q;+2;;;;/p-2.
What are the key properties of 4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium?
4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium has a molecular weight of 295.26 g/mol, XLogP of 0.49, 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;dihydroxy(dioxo)chromium is sourced from PubChem (CID 19805263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).