5-azido-1H-indole

C8H6N4 — CID 3036180

IUPAC5-azido-1H-indole
SMILES[N-]=[N+]=Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C8H6N4/c9-12-11-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
InChIKeyAOGMRHJPLFEWKL-UHFFFAOYSA-N
MW158.16 g/mol
LogP3.11
Rot. Bonds1

About 5-azido-1H-indole

5-azido-1H-indole (PubChem CID 3036180) has the molecular formula C8H6N4 and a molecular weight of 158.16 g/mol. Its IUPAC name is 5-azido-1H-indole.

Molecular Properties

Compound Name5-azido-1H-indole
PubChem CID3036180
Molecular FormulaC8H6N4
Molecular Weight158.16 g/mol
Exact Mass158.06
IUPAC Name5-azido-1H-indole
SMILES[N-]=[N+]=Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C8H6N4/c9-12-11-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
InChIKeyAOGMRHJPLFEWKL-UHFFFAOYSA-N
XLogP3.11
TPSA64.55 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

5-(6-azidopyrimidin-4-yl)oxy-1H-indole
CID 86234704
5-(3-azidoprop-1-enyl)-1H-indole
CID 169461878
CID 58930948
CID 58930948
1-azido-4-(18F)fluorobenzene
CID 15186747
2-azidopyrene
CID 14121488
1H-indol-5-ylazanide;tungsten
CID 155742475
5,6-dichloro-1H-indole
CID 10487776
6-azidonaphthalene-1-sulfonyl chloride
CID 146049283
5-propan-2-yl-1H-indole
CID 10558918
N,N-dimethyl-1H-indol-5-amine
CID 23274
5-[2-(1H-indol-5-yl)phenyl]-1H-indole
CID 102414263
N-(2-methoxyethyl)-1H-indol-5-amine
CID 82539811

Frequently Asked Questions

What is the IUPAC name of 5-azido-1H-indole?
The IUPAC name of 5-azido-1H-indole (CID 3036180) is 5-azido-1H-indole.
What is the SMILES notation for 5-azido-1H-indole?
The canonical SMILES for 5-azido-1H-indole is [N-]=[N+]=Nc1ccc2[nH]ccc2c1.
What is the InChIKey of 5-azido-1H-indole?
The InChIKey is AOGMRHJPLFEWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4/c9-12-11-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H.
What are the key properties of 5-azido-1H-indole?
5-azido-1H-indole has a molecular weight of 158.16 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-1H-indole is sourced from PubChem (CID 3036180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).