3-(4-amino-1H-indol-6-yl)-1H-indol-5-amine

C16H14N4 — CID 91462479

IUPAC3-(4-amino-1H-indol-6-yl)-1H-indol-5-amine
SMILESNc1ccc2[nH]cc(-c3cc(N)c4cc[nH]c4c3)c2c1
InChIInChI=1S/C16H14N4/c17-10-1-2-15-12(7-10)13(8-20-15)9-5-14(18)11-3-4-19-16(11)6-9/h1-8,19-20H,17-18H2
InChIKeyVBLZDKKZULEYSG-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.48
Rot. Bonds1

About 3-(4-amino-1H-indol-6-yl)-1H-indol-5-amine

3-(4-amino-1H-indol-6-yl)-1H-indol-5-amine (PubChem CID 91462479) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 3-(4-amino-1H-indol-6-yl)-1H-indol-5-amine.

Molecular Properties

Compound Name3-(4-amino-1H-indol-6-yl)-1H-indol-5-amine
PubChem CID91462479
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name3-(4-amino-1H-indol-6-yl)-1H-indol-5-amine
SMILESNc1ccc2[nH]cc(-c3cc(N)c4cc[nH]c4c3)c2c1
InChIInChI=1S/C16H14N4/c17-10-1-2-15-12(7-10)13(8-20-15)9-5-14(18)11-3-4-19-16(11)6-9/h1-8,19-20H,17-18H2
InChIKeyVBLZDKKZULEYSG-UHFFFAOYSA-N
XLogP3.48
TPSA83.62 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1H-indol-6-yl)-1H-indol-5-amine?
The IUPAC name of 3-(4-amino-1H-indol-6-yl)-1H-indol-5-amine (CID 91462479) is 3-(4-amino-1H-indol-6-yl)-1H-indol-5-amine.
What is the SMILES notation for 3-(4-amino-1H-indol-6-yl)-1H-indol-5-amine?
The canonical SMILES for 3-(4-amino-1H-indol-6-yl)-1H-indol-5-amine is Nc1ccc2[nH]cc(-c3cc(N)c4cc[nH]c4c3)c2c1.
What is the InChIKey of 3-(4-amino-1H-indol-6-yl)-1H-indol-5-amine?
The InChIKey is VBLZDKKZULEYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c17-10-1-2-15-12(7-10)13(8-20-15)9-5-14(18)11-3-4-19-16(11)6-9/h1-8,19-20H,17-18H2.
What are the key properties of 3-(4-amino-1H-indol-6-yl)-1H-indol-5-amine?
3-(4-amino-1H-indol-6-yl)-1H-indol-5-amine has a molecular weight of 262.32 g/mol, XLogP of 3.48, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1H-indol-6-yl)-1H-indol-5-amine is sourced from PubChem (CID 91462479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).