dicyclohexyldiazene;nitric acid

C12H23N3O3 — CID 19801404

IUPACdicyclohexyldiazene;nitric acid
SMILESC1CCC(/N=N/C2CCCCC2)CC1.O=[N+]([O-])O
InChIInChI=1S/C12H22N2.HNO3/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;2-1(3)4/h11-12H,1-10H2;(H,2,3,4)/b14-13+;
InChIKeyFNIZHERHPIHUAH-IERUDJENSA-N
MW257.33 g/mol
LogP3.76
Rot. Bonds2

About dicyclohexyldiazene;nitric acid

dicyclohexyldiazene;nitric acid (PubChem CID 19801404) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is dicyclohexyldiazene;nitric acid.

Molecular Properties

Compound Namedicyclohexyldiazene;nitric acid
PubChem CID19801404
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Namedicyclohexyldiazene;nitric acid
SMILESC1CCC(/N=N/C2CCCCC2)CC1.O=[N+]([O-])O
InChIInChI=1S/C12H22N2.HNO3/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;2-1(3)4/h11-12H,1-10H2;(H,2,3,4)/b14-13+;
InChIKeyFNIZHERHPIHUAH-IERUDJENSA-N
XLogP3.76
TPSA88.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;nitric acid
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Frequently Asked Questions

What is the IUPAC name of dicyclohexyldiazene;nitric acid?
The IUPAC name of dicyclohexyldiazene;nitric acid (CID 19801404) is dicyclohexyldiazene;nitric acid.
What is the SMILES notation for dicyclohexyldiazene;nitric acid?
The canonical SMILES for dicyclohexyldiazene;nitric acid is C1CCC(/N=N/C2CCCCC2)CC1.O=[N+]([O-])O.
What is the InChIKey of dicyclohexyldiazene;nitric acid?
The InChIKey is FNIZHERHPIHUAH-IERUDJENSA-N. The full InChI is InChI=1S/C12H22N2.HNO3/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;2-1(3)4/h11-12H,1-10H2;(H,2,3,4)/b14-13+;.
What are the key properties of dicyclohexyldiazene;nitric acid?
dicyclohexyldiazene;nitric acid has a molecular weight of 257.33 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyldiazene;nitric acid is sourced from PubChem (CID 19801404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).