5-(7-methoxy-1H-indol-2-yl)-7-(4-methylcyclohexyl)imidazo[5,1-f][1,2,4]triazin-4-amine

C21H24N6O — CID 137032824

IUPAC5-(7-methoxy-1H-indol-2-yl)-7-(4-methylcyclohexyl)imidazo[5,1-f][1,2,4]triazin-4-amine
SMILESCOc1cccc2cc(-c3nc(C4CCC(C)CC4)n4ncnc(N)c34)[nH]c12
InChIInChI=1S/C21H24N6O/c1-12-6-8-13(9-7-12)21-26-18(19-20(22)23-11-24-27(19)21)15-10-14-4-3-5-16(28-2)17(14)25-15/h3-5,10-13,25H,6-9H2,1-2H3,(H2,22,23,24)
InChIKeyMHLLYBSPQGQHBZ-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.16
Rot. Bonds3

About 5-(7-methoxy-1H-indol-2-yl)-7-(4-methylcyclohexyl)imidazo[5,1-f][1,2,4]triazin-4-amine

5-(7-methoxy-1H-indol-2-yl)-7-(4-methylcyclohexyl)imidazo[5,1-f][1,2,4]triazin-4-amine (PubChem CID 137032824) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-(7-methoxy-1H-indol-2-yl)-7-(4-methylcyclohexyl)imidazo[5,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-(7-methoxy-1H-indol-2-yl)-7-(4-methylcyclohexyl)imidazo[5,1-f][1,2,4]triazin-4-amine
PubChem CID137032824
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name5-(7-methoxy-1H-indol-2-yl)-7-(4-methylcyclohexyl)imidazo[5,1-f][1,2,4]triazin-4-amine
SMILESCOc1cccc2cc(-c3nc(C4CCC(C)CC4)n4ncnc(N)c34)[nH]c12
InChIInChI=1S/C21H24N6O/c1-12-6-8-13(9-7-12)21-26-18(19-20(22)23-11-24-27(19)21)15-10-14-4-3-5-16(28-2)17(14)25-15/h3-5,10-13,25H,6-9H2,1-2H3,(H2,22,23,24)
InChIKeyMHLLYBSPQGQHBZ-UHFFFAOYSA-N
XLogP4.16
TPSA94.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(2-aminoethoxy)ethoxy]-1-[4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]butan-1-one
CID 147893863
4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
CID 59286100
4-(2-aminoethoxy)-1-[4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]butan-1-one;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate
CID 157140819
4-[4-amino-5-[7-(4-chlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid
CID 135887237
4-[4-amino-5-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide
CID 135887265
7-cyclohexyl-5-(6-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine
CID 135802779
4-[8-amino-1-(7-bromo-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-sulfonamide;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 157162256
4-[4-amino-5-(7-ethyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(1H-indol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid
CID 160868958
methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
CID 59133016
4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;1-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-4-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid
CID 157184668
1-[5-(7-methoxy-1H-indol-2-yl)-2-(1-methylpiperidin-4-yl)-3-[(Z)-prop-1-enyl]imidazol-4-yl]ethenamine
CID 143744455
4-[4-amino-5-(4-methoxy-2,3-dihydro-1H-inden-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid
CID 73294744

Frequently Asked Questions

What is the IUPAC name of 5-(7-methoxy-1H-indol-2-yl)-7-(4-methylcyclohexyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-(7-methoxy-1H-indol-2-yl)-7-(4-methylcyclohexyl)imidazo[5,1-f][1,2,4]triazin-4-amine (CID 137032824) is 5-(7-methoxy-1H-indol-2-yl)-7-(4-methylcyclohexyl)imidazo[5,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-(7-methoxy-1H-indol-2-yl)-7-(4-methylcyclohexyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-(7-methoxy-1H-indol-2-yl)-7-(4-methylcyclohexyl)imidazo[5,1-f][1,2,4]triazin-4-amine is COc1cccc2cc(-c3nc(C4CCC(C)CC4)n4ncnc(N)c34)[nH]c12.
What is the InChIKey of 5-(7-methoxy-1H-indol-2-yl)-7-(4-methylcyclohexyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The InChIKey is MHLLYBSPQGQHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-12-6-8-13(9-7-12)21-26-18(19-20(22)23-11-24-27(19)21)15-10-14-4-3-5-16(28-2)17(14)25-15/h3-5,10-13,25H,6-9H2,1-2H3,(H2,22,23,24).
What are the key properties of 5-(7-methoxy-1H-indol-2-yl)-7-(4-methylcyclohexyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
5-(7-methoxy-1H-indol-2-yl)-7-(4-methylcyclohexyl)imidazo[5,1-f][1,2,4]triazin-4-amine has a molecular weight of 376.46 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methoxy-1H-indol-2-yl)-7-(4-methylcyclohexyl)imidazo[5,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 137032824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).