2-methyl-6-(2-methylindazole-4-carboximidoyl)aniline

C16H16N4 — CID 166054970

IUPAC2-methyl-6-(2-methylindazole-4-carboximidoyl)aniline
SMILES[H]/N=C(\c1cccc(C)c1N)c1cccc2nn(C)cc12
InChIInChI=1S/C16H16N4/c1-10-5-3-7-12(15(10)17)16(18)11-6-4-8-14-13(11)9-20(2)19-14/h3-9,18H,17H2,1-2H3/b18-16-
InChIKeyNXBJTTAHEFFNOA-VLGSPTGOSA-N
MW264.33 g/mol
LogP2.88
Rot. Bonds2

About 2-methyl-6-(2-methylindazole-4-carboximidoyl)aniline

2-methyl-6-(2-methylindazole-4-carboximidoyl)aniline (PubChem CID 166054970) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-methyl-6-(2-methylindazole-4-carboximidoyl)aniline.

Molecular Properties

Compound Name2-methyl-6-(2-methylindazole-4-carboximidoyl)aniline
PubChem CID166054970
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name2-methyl-6-(2-methylindazole-4-carboximidoyl)aniline
SMILES[H]/N=C(\c1cccc(C)c1N)c1cccc2nn(C)cc12
InChIInChI=1S/C16H16N4/c1-10-5-3-7-12(15(10)17)16(18)11-6-4-8-14-13(11)9-20(2)19-14/h3-9,18H,17H2,1-2H3/b18-16-
InChIKeyNXBJTTAHEFFNOA-VLGSPTGOSA-N
XLogP2.88
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethylindazole;ethane
CID 90974355
2-methylindazol-4-amine
CID 15413170
4-buta-1,3-dien-2-yl-2-methylindazole
CID 123545046
2-(2-methylbenzenecarboximidoyl)aniline
CID 130017935
2-(naphthalene-1-carboximidoyl)naphthalen-1-amine
CID 144780579
N,N,2-trimethylindazol-4-amine
CID 71426032
(2-methylindazol-4-yl)methanamine;dihydrochloride
CID 155749660
(2,5-dimethylindazol-4-yl)-trifluoroboranuide
CID 74787622
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 115988891
[2-(2-methylindazol-4-yl)cyclopropyl]methanamine
CID 59334507
2-(benzimidazol-1-yl)-3-methylbenzenecarboximidamide
CID 107110473
2-amino-3-methylbenzoic acid;azane
CID 69400013

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylindazole-4-carboximidoyl)aniline?
The IUPAC name of 2-methyl-6-(2-methylindazole-4-carboximidoyl)aniline (CID 166054970) is 2-methyl-6-(2-methylindazole-4-carboximidoyl)aniline.
What is the SMILES notation for 2-methyl-6-(2-methylindazole-4-carboximidoyl)aniline?
The canonical SMILES for 2-methyl-6-(2-methylindazole-4-carboximidoyl)aniline is [H]/N=C(\c1cccc(C)c1N)c1cccc2nn(C)cc12.
What is the InChIKey of 2-methyl-6-(2-methylindazole-4-carboximidoyl)aniline?
The InChIKey is NXBJTTAHEFFNOA-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H16N4/c1-10-5-3-7-12(15(10)17)16(18)11-6-4-8-14-13(11)9-20(2)19-14/h3-9,18H,17H2,1-2H3/b18-16-.
What are the key properties of 2-methyl-6-(2-methylindazole-4-carboximidoyl)aniline?
2-methyl-6-(2-methylindazole-4-carboximidoyl)aniline has a molecular weight of 264.33 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylindazole-4-carboximidoyl)aniline is sourced from PubChem (CID 166054970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).