N-(4-diazo-2,3-diethylcyclohexa-2,5-dien-1-yl)hydroxylamine

C10H15N3O — CID 18952715

IUPACN-(4-diazo-2,3-diethylcyclohexa-2,5-dien-1-yl)hydroxylamine
SMILESCCC1=C(CC)C(NO)C=CC1=[N+]=[N-]
InChIInChI=1S/C10H15N3O/c1-3-7-8(4-2)10(13-14)6-5-9(7)12-11/h5-6,10,13-14H,3-4H2,1-2H3
InChIKeyAZMFDUHVZWVHNE-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.69
Rot. Bonds3

About N-(4-diazo-2,3-diethylcyclohexa-2,5-dien-1-yl)hydroxylamine

N-(4-diazo-2,3-diethylcyclohexa-2,5-dien-1-yl)hydroxylamine (PubChem CID 18952715) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N-(4-diazo-2,3-diethylcyclohexa-2,5-dien-1-yl)hydroxylamine.

Molecular Properties

Compound NameN-(4-diazo-2,3-diethylcyclohexa-2,5-dien-1-yl)hydroxylamine
PubChem CID18952715
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN-(4-diazo-2,3-diethylcyclohexa-2,5-dien-1-yl)hydroxylamine
SMILESCCC1=C(CC)C(NO)C=CC1=[N+]=[N-]
InChIInChI=1S/C10H15N3O/c1-3-7-8(4-2)10(13-14)6-5-9(7)12-11/h5-6,10,13-14H,3-4H2,1-2H3
InChIKeyAZMFDUHVZWVHNE-UHFFFAOYSA-N
XLogP1.69
TPSA68.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-Diazo-2,3-dimethylcyclohexa-2,5-dien-1-amine
CID 18183674
4-Diazo-2,3-diethylcyclohexa-2,5-dien-1-amine
CID 20209398
4-Diazo-2-ethylcyclohexa-2,5-dien-1-amine
CID 21829809
N-[(4-diazocyclohexa-1,5-dien-1-yl)methyl]hydroxylamine
CID 87751072
4-Diazo-2,3-diethylcyclohexa-2,5-dien-1-amine;ZINC;hydrochloride
CID 173408665
ZINC;4-diazo-2,3-diethylcyclohexa-2,5-dien-1-amine;chloride
CID 20209397

Frequently Asked Questions

What is the IUPAC name of N-(4-diazo-2,3-diethylcyclohexa-2,5-dien-1-yl)hydroxylamine?
The IUPAC name of N-(4-diazo-2,3-diethylcyclohexa-2,5-dien-1-yl)hydroxylamine (CID 18952715) is N-(4-diazo-2,3-diethylcyclohexa-2,5-dien-1-yl)hydroxylamine.
What is the SMILES notation for N-(4-diazo-2,3-diethylcyclohexa-2,5-dien-1-yl)hydroxylamine?
The canonical SMILES for N-(4-diazo-2,3-diethylcyclohexa-2,5-dien-1-yl)hydroxylamine is CCC1=C(CC)C(NO)C=CC1=[N+]=[N-].
What is the InChIKey of N-(4-diazo-2,3-diethylcyclohexa-2,5-dien-1-yl)hydroxylamine?
The InChIKey is AZMFDUHVZWVHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-3-7-8(4-2)10(13-14)6-5-9(7)12-11/h5-6,10,13-14H,3-4H2,1-2H3.
What are the key properties of N-(4-diazo-2,3-diethylcyclohexa-2,5-dien-1-yl)hydroxylamine?
N-(4-diazo-2,3-diethylcyclohexa-2,5-dien-1-yl)hydroxylamine has a molecular weight of 193.25 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-diazo-2,3-diethylcyclohexa-2,5-dien-1-yl)hydroxylamine is sourced from PubChem (CID 18952715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).