6-amino-1-methylindole-3-carbonitrile

C10H9N3 — CID 59335124

IUPAC6-amino-1-methylindole-3-carbonitrile
SMILESCn1cc(C#N)c2ccc(N)cc21
InChIInChI=1S/C10H9N3/c1-13-6-7(5-11)9-3-2-8(12)4-10(9)13/h2-4,6H,12H2,1H3
InChIKeyHNHMMWBURNQSHP-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.63
Rot. Bonds

About 6-amino-1-methylindole-3-carbonitrile

6-amino-1-methylindole-3-carbonitrile (PubChem CID 59335124) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 6-amino-1-methylindole-3-carbonitrile.

Molecular Properties

Compound Name6-amino-1-methylindole-3-carbonitrile
PubChem CID59335124
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name6-amino-1-methylindole-3-carbonitrile
SMILESCn1cc(C#N)c2ccc(N)cc21
InChIInChI=1S/C10H9N3/c1-13-6-7(5-11)9-3-2-8(12)4-10(9)13/h2-4,6H,12H2,1H3
InChIKeyHNHMMWBURNQSHP-UHFFFAOYSA-N
XLogP1.63
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.63
H-Bond Donors ≤ 51
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 6-amino-1-methylindole-3-carbonitrile?
The IUPAC name of 6-amino-1-methylindole-3-carbonitrile (CID 59335124) is 6-amino-1-methylindole-3-carbonitrile.
What is the SMILES notation for 6-amino-1-methylindole-3-carbonitrile?
The canonical SMILES for 6-amino-1-methylindole-3-carbonitrile is Cn1cc(C#N)c2ccc(N)cc21.
What is the InChIKey of 6-amino-1-methylindole-3-carbonitrile?
The InChIKey is HNHMMWBURNQSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-13-6-7(5-11)9-3-2-8(12)4-10(9)13/h2-4,6H,12H2,1H3.
What are the key properties of 6-amino-1-methylindole-3-carbonitrile?
6-amino-1-methylindole-3-carbonitrile has a molecular weight of 171.20 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methylindole-3-carbonitrile is sourced from PubChem (CID 59335124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).