3-azidonaphthalen-1-amine

C10H8N4 — CID 21162853

IUPAC3-azidonaphthalen-1-amine
SMILES[N-]=[N+]=Nc1cc(N)c2ccccc2c1
InChIInChI=1S/C10H8N4/c11-10-6-8(13-14-12)5-7-3-1-2-4-9(7)10/h1-6H,11H2
InChIKeyCANCZWSHMZGRFQ-UHFFFAOYSA-N
MW184.20 g/mol
LogP3.36
Rot. Bonds1

About 3-azidonaphthalen-1-amine

3-azidonaphthalen-1-amine (PubChem CID 21162853) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-azidonaphthalen-1-amine.

Molecular Properties

Compound Name3-azidonaphthalen-1-amine
PubChem CID21162853
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name3-azidonaphthalen-1-amine
SMILES[N-]=[N+]=Nc1cc(N)c2ccccc2c1
InChIInChI=1S/C10H8N4/c11-10-6-8(13-14-12)5-7-3-1-2-4-9(7)10/h1-6H,11H2
InChIKeyCANCZWSHMZGRFQ-UHFFFAOYSA-N
XLogP3.36
TPSA74.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-phenyldiazenylnaphthalen-1-amine
CID 156686979
2-azidopyrene
CID 14121488
4-aminonaphthalene-2-thiol
CID 22336615
phenanthren-9-amine
CID 13695
1-(2-azidonaphthalen-1-yl)naphthalen-2-amine
CID 132545749
3-ethenylnaphthalen-1-amine
CID 150338788
6-azidonaphthalene-1-sulfonyl chloride
CID 146049283
2-azido-10-methylacridin-10-ium-9-amine
CID 3036763
9-(4-azidophenyl)acridine
CID 15340007
3-(4-chlorophenyl)naphthalen-1-amine
CID 56642068
1-azidophenanthrene
CID 14121608
CID 135259743
CID 135259743

Frequently Asked Questions

What is the IUPAC name of 3-azidonaphthalen-1-amine?
The IUPAC name of 3-azidonaphthalen-1-amine (CID 21162853) is 3-azidonaphthalen-1-amine.
What is the SMILES notation for 3-azidonaphthalen-1-amine?
The canonical SMILES for 3-azidonaphthalen-1-amine is [N-]=[N+]=Nc1cc(N)c2ccccc2c1.
What is the InChIKey of 3-azidonaphthalen-1-amine?
The InChIKey is CANCZWSHMZGRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c11-10-6-8(13-14-12)5-7-3-1-2-4-9(7)10/h1-6H,11H2.
What are the key properties of 3-azidonaphthalen-1-amine?
3-azidonaphthalen-1-amine has a molecular weight of 184.20 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azidonaphthalen-1-amine is sourced from PubChem (CID 21162853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).