diazene;naphthalen-1-amine

C10H11N3 — CID 142081772

IUPACdiazene;naphthalen-1-amine
SMILESNc1cccc2ccccc12.[H]/N=N/[H]
InChIInChI=1S/C10H9N.H2N2/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-2/h1-7H,11H2;1-2H/b;2-1+
InChIKeyDYVJWDQMLAPLOF-WLHGVMLRSA-N
MW173.22 g/mol
LogP3.02
Rot. Bonds

About diazene;naphthalen-1-amine

diazene;naphthalen-1-amine (PubChem CID 142081772) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is diazene;naphthalen-1-amine.

Molecular Properties

Compound Namediazene;naphthalen-1-amine
PubChem CID142081772
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Namediazene;naphthalen-1-amine
SMILESNc1cccc2ccccc12.[H]/N=N/[H]
InChIInChI=1S/C10H9N.H2N2/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-2/h1-7H,11H2;1-2H/b;2-1+
InChIKeyDYVJWDQMLAPLOF-WLHGVMLRSA-N
XLogP3.02
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 135259743
CID 135259743
azane;naphthalen-1-amine;dihydrochloride
CID 142719941
dichloromethane;naphthalen-1-amine
CID 174958204
naphthalen-1-amine;1,3,5,2,4,6-triazatriphosphinane
CID 175083244
methylsulfonylmethane;naphthalen-1-amine
CID 158608928
formic acid;naphthalen-1-amine
CID 174286759
naphthalen-1-amine;phenylmethanamine
CID 23298608
diphenyldiazene;naphthalen-1-amine
CID 159387194
hydrogen sulfite;naphthalen-1-amine
CID 174331156
naphthalen-1-amine;naphthalen-2-amine
CID 70377972
naphthalen-1-amine;2-phenylethanamine
CID 175144092
naphthalen-1-amine;trifluoromethanesulfonic acid
CID 175237675

Frequently Asked Questions

What is the IUPAC name of diazene;naphthalen-1-amine?
The IUPAC name of diazene;naphthalen-1-amine (CID 142081772) is diazene;naphthalen-1-amine.
What is the SMILES notation for diazene;naphthalen-1-amine?
The canonical SMILES for diazene;naphthalen-1-amine is Nc1cccc2ccccc12.[H]/N=N/[H].
What is the InChIKey of diazene;naphthalen-1-amine?
The InChIKey is DYVJWDQMLAPLOF-WLHGVMLRSA-N. The full InChI is InChI=1S/C10H9N.H2N2/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-2/h1-7H,11H2;1-2H/b;2-1+.
What are the key properties of diazene;naphthalen-1-amine?
diazene;naphthalen-1-amine has a molecular weight of 173.22 g/mol, XLogP of 3.02, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diazene;naphthalen-1-amine is sourced from PubChem (CID 142081772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).