N-(4-ethoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine

C24H24N4O — CID 2030356

IUPACN-(4-ethoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
SMILESCCOc1ccc(Nc2c3c(nc4c(-c5ccccc5)c(C)nn24)CCC3)cc1
InChIInChI=1S/C24H24N4O/c1-3-29-19-14-12-18(13-15-19)25-23-20-10-7-11-21(20)26-24-22(16(2)27-28(23)24)17-8-5-4-6-9-17/h4-6,8-9,12-15,25H,3,7,10-11H2,1-2H3
InChIKeyMRYXPFUBPLLMOH-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.34
Rot. Bonds5

About N-(4-ethoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine

N-(4-ethoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine (PubChem CID 2030356) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
PubChem CID2030356
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-(4-ethoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
SMILESCCOc1ccc(Nc2c3c(nc4c(-c5ccccc5)c(C)nn24)CCC3)cc1
InChIInChI=1S/C24H24N4O/c1-3-29-19-14-12-18(13-15-19)25-23-20-10-7-11-21(20)26-24-22(16(2)27-28(23)24)17-8-5-4-6-9-17/h4-6,8-9,12-15,25H,3,7,10-11H2,1-2H3
InChIKeyMRYXPFUBPLLMOH-UHFFFAOYSA-N
XLogP5.34
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-ethoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine with MolForge

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Related Compounds

N-(4-ethoxyphenyl)-2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
CID 50800609
10-(4-methoxy-2-methylphenyl)-11-methyl-N-(2-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 10157720
10-(2-chloro-4-ethoxyphenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine;hydrochloride
CID 22178018
4-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)morpholine
CID 665998
2-methyl-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
CID 178068101
3-[[11-methyl-10-(4-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]amino]propan-1-ol
CID 16668314
6-[(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylmethyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 38020847
10-(4-methoxy-2-methylphenyl)-N-pentan-3-yl-11-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine;hydrochloride
CID 22177792
N-(2-ethylbutyl)-10-(4-methoxy-2-methylphenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 22178069
N-cyclopentyl-10-(4-methoxy-2-methylphenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 10110091
10-(4-methoxy-2,6-dimethylphenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 10111139
3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentan-3-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
CID 22177772

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
The IUPAC name of N-(4-ethoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine (CID 2030356) is N-(4-ethoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine is CCOc1ccc(Nc2c3c(nc4c(-c5ccccc5)c(C)nn24)CCC3)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
The InChIKey is MRYXPFUBPLLMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-3-29-19-14-12-18(13-15-19)25-23-20-10-7-11-21(20)26-24-22(16(2)27-28(23)24)17-8-5-4-6-9-17/h4-6,8-9,12-15,25H,3,7,10-11H2,1-2H3.
What are the key properties of N-(4-ethoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
N-(4-ethoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine has a molecular weight of 384.48 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine is sourced from PubChem (CID 2030356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).