1H-indole-4,6,7-triamine

C8H10N4 — CID 57214260

IUPAC1H-indole-4,6,7-triamine
SMILESNc1cc(N)c2cc[nH]c2c1N
InChIInChI=1S/C8H10N4/c9-5-3-6(10)7(11)8-4(5)1-2-12-8/h1-3,12H,9-11H2
InChIKeyLFHSAUTWHMOBDJ-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.91
Rot. Bonds

About 1H-indole-4,6,7-triamine

1H-indole-4,6,7-triamine (PubChem CID 57214260) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 1H-indole-4,6,7-triamine.

Molecular Properties

Compound Name1H-indole-4,6,7-triamine
PubChem CID57214260
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name1H-indole-4,6,7-triamine
SMILESNc1cc(N)c2cc[nH]c2c1N
InChIInChI=1S/C8H10N4/c9-5-3-6(10)7(11)8-4(5)1-2-12-8/h1-3,12H,9-11H2
InChIKeyLFHSAUTWHMOBDJ-UHFFFAOYSA-N
XLogP0.91
TPSA93.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-indole-4,6,7-triamine?
The IUPAC name of 1H-indole-4,6,7-triamine (CID 57214260) is 1H-indole-4,6,7-triamine.
What is the SMILES notation for 1H-indole-4,6,7-triamine?
The canonical SMILES for 1H-indole-4,6,7-triamine is Nc1cc(N)c2cc[nH]c2c1N.
What is the InChIKey of 1H-indole-4,6,7-triamine?
The InChIKey is LFHSAUTWHMOBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c9-5-3-6(10)7(11)8-4(5)1-2-12-8/h1-3,12H,9-11H2.
What are the key properties of 1H-indole-4,6,7-triamine?
1H-indole-4,6,7-triamine has a molecular weight of 162.20 g/mol, XLogP of 0.91, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole-4,6,7-triamine is sourced from PubChem (CID 57214260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).