N-(3,4-dimethylphenyl)-5,7-dimethyl-2-(4-methylphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine

C22H23N5 — CID 20825639

IUPACN-(3,4-dimethylphenyl)-5,7-dimethyl-2-(4-methylphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
SMILESCc1ccc(-c2nc(Nc3ccc(C)c(C)c3)c3c(C)nc(C)n3n2)cc1
InChIInChI=1S/C22H23N5/c1-13-6-9-18(10-7-13)21-25-22(20-16(4)23-17(5)27(20)26-21)24-19-11-8-14(2)15(3)12-19/h6-12H,1-5H3,(H,24,25,26)
InChIKeyOCQYPGRTLSATQH-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.08
Rot. Bonds3

About N-(3,4-dimethylphenyl)-5,7-dimethyl-2-(4-methylphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine

N-(3,4-dimethylphenyl)-5,7-dimethyl-2-(4-methylphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine (PubChem CID 20825639) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5,7-dimethyl-2-(4-methylphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5,7-dimethyl-2-(4-methylphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
PubChem CID20825639
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC NameN-(3,4-dimethylphenyl)-5,7-dimethyl-2-(4-methylphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
SMILESCc1ccc(-c2nc(Nc3ccc(C)c(C)c3)c3c(C)nc(C)n3n2)cc1
InChIInChI=1S/C22H23N5/c1-13-6-9-18(10-7-13)21-25-22(20-16(4)23-17(5)27(20)26-21)24-19-11-8-14(2)15(3)12-19/h6-12H,1-5H3,(H,24,25,26)
InChIKeyOCQYPGRTLSATQH-UHFFFAOYSA-N
XLogP5.08
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5,7-dimethyl-2-(4-methylphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-5,7-dimethyl-2-(4-methylphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine (CID 20825639) is N-(3,4-dimethylphenyl)-5,7-dimethyl-2-(4-methylphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5,7-dimethyl-2-(4-methylphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-5,7-dimethyl-2-(4-methylphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine is Cc1ccc(-c2nc(Nc3ccc(C)c(C)c3)c3c(C)nc(C)n3n2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-5,7-dimethyl-2-(4-methylphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The InChIKey is OCQYPGRTLSATQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5/c1-13-6-9-18(10-7-13)21-25-22(20-16(4)23-17(5)27(20)26-21)24-19-11-8-14(2)15(3)12-19/h6-12H,1-5H3,(H,24,25,26).
What are the key properties of N-(3,4-dimethylphenyl)-5,7-dimethyl-2-(4-methylphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
N-(3,4-dimethylphenyl)-5,7-dimethyl-2-(4-methylphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine has a molecular weight of 357.46 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5,7-dimethyl-2-(4-methylphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 20825639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).