4-diazo-3,6-dimethoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium

C10H17CrN3O6 — CID 19805253

IUPAC4-diazo-3,6-dimethoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium
SMILESCOC1=CC(=[N+]=[N-])C(OC)C=C1N(C)C.O=[Cr](=O)(O)O
InChIInChI=1S/C10H15N3O2.Cr.2H2O.2O/c1-13(2)8-6-9(14-3)7(12-11)5-10(8)15-4;;;;;/h5-6,9H,1-4H3;;2*1H2;;/q;+2;;;;/p-2
InChIKeyYJOXHHJJGTVUFX-UHFFFAOYSA-L
MW327.26 g/mol
LogP-0.69
Rot. Bonds3

About 4-diazo-3,6-dimethoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium

4-diazo-3,6-dimethoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium (PubChem CID 19805253) has the molecular formula C10H17CrN3O6 and a molecular weight of 327.26 g/mol. Its IUPAC name is 4-diazo-3,6-dimethoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium.

Molecular Properties

Compound Name4-diazo-3,6-dimethoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium
PubChem CID19805253
Molecular FormulaC10H17CrN3O6
Molecular Weight327.26 g/mol
Exact Mass327.05
IUPAC Name4-diazo-3,6-dimethoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium
SMILESCOC1=CC(=[N+]=[N-])C(OC)C=C1N(C)C.O=[Cr](=O)(O)O
InChIInChI=1S/C10H15N3O2.Cr.2H2O.2O/c1-13(2)8-6-9(14-3)7(12-11)5-10(8)15-4;;;;;/h5-6,9H,1-4H3;;2*1H2;;/q;+2;;;;/p-2
InChIKeyYJOXHHJJGTVUFX-UHFFFAOYSA-L
XLogP-0.69
TPSA132.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-3,6-dimethoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium?
The IUPAC name of 4-diazo-3,6-dimethoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium (CID 19805253) is 4-diazo-3,6-dimethoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium.
What is the SMILES notation for 4-diazo-3,6-dimethoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium?
The canonical SMILES for 4-diazo-3,6-dimethoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium is COC1=CC(=[N+]=[N-])C(OC)C=C1N(C)C.O=[Cr](=O)(O)O.
What is the InChIKey of 4-diazo-3,6-dimethoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium?
The InChIKey is YJOXHHJJGTVUFX-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H15N3O2.Cr.2H2O.2O/c1-13(2)8-6-9(14-3)7(12-11)5-10(8)15-4;;;;;/h5-6,9H,1-4H3;;2*1H2;;/q;+2;;;;/p-2.
What are the key properties of 4-diazo-3,6-dimethoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium?
4-diazo-3,6-dimethoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium has a molecular weight of 327.26 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazo-3,6-dimethoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium is sourced from PubChem (CID 19805253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).