3-azidoindazol-1-amine

C7H6N6 — CID 15894035

IUPAC3-azidoindazol-1-amine
SMILES[N-]=[N+]=Nc1nn(N)c2ccccc12
InChIInChI=1S/C7H6N6/c8-12-10-7-5-3-1-2-4-6(5)13(9)11-7/h1-4H,9H2
InChIKeyPIVKAZFNJFRJFY-UHFFFAOYSA-N
MW174.17 g/mol
LogP1.69
Rot. Bonds1

About 3-azidoindazol-1-amine

3-azidoindazol-1-amine (PubChem CID 15894035) has the molecular formula C7H6N6 and a molecular weight of 174.17 g/mol. Its IUPAC name is 3-azidoindazol-1-amine.

Molecular Properties

Compound Name3-azidoindazol-1-amine
PubChem CID15894035
Molecular FormulaC7H6N6
Molecular Weight174.17 g/mol
Exact Mass174.07
IUPAC Name3-azidoindazol-1-amine
SMILES[N-]=[N+]=Nc1nn(N)c2ccccc12
InChIInChI=1S/C7H6N6/c8-12-10-7-5-3-1-2-4-6(5)13(9)11-7/h1-4H,9H2
InChIKeyPIVKAZFNJFRJFY-UHFFFAOYSA-N
XLogP1.69
TPSA92.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.17
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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-pyridin-4-ylindazol-1-amine
CID 147171734
2,3-diazido-5,6-diphenylpyrazine
CID 14641970
2-azido-1-methylindole-3-carbaldehyde
CID 14245995
1-(2-azidonaphthalen-1-yl)naphthalen-2-amine
CID 132545749
2,3-dibromoindol-1-amine
CID 141135637
9-(4-azidophenyl)acridine
CID 15340007
2-azido-10-methylacridin-10-ium-9-amine
CID 3036763
1-azidophenanthrene
CID 14121608
2-[(2-azidophenyl)methyl]benzotriazole
CID 45103967
1-(3-azidopyrazin-2-yl)indazole-4-carboxylate
CID 126484558
1,9-diazatricyclo[6.1.1.02,7]deca-2,4,6,8-tetraene
CID 144505406
(2-azidophenyl)methanamine
CID 10997194

Frequently Asked Questions

What is the IUPAC name of 3-azidoindazol-1-amine?
The IUPAC name of 3-azidoindazol-1-amine (CID 15894035) is 3-azidoindazol-1-amine.
What is the SMILES notation for 3-azidoindazol-1-amine?
The canonical SMILES for 3-azidoindazol-1-amine is [N-]=[N+]=Nc1nn(N)c2ccccc12.
What is the InChIKey of 3-azidoindazol-1-amine?
The InChIKey is PIVKAZFNJFRJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N6/c8-12-10-7-5-3-1-2-4-6(5)13(9)11-7/h1-4H,9H2.
What are the key properties of 3-azidoindazol-1-amine?
3-azidoindazol-1-amine has a molecular weight of 174.17 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azidoindazol-1-amine is sourced from PubChem (CID 15894035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).