3-(2,5-dimethylphenyl)-12-(6-methyl-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene

C24H24N4 — CID 145157602

IUPAC3-(2,5-dimethylphenyl)-12-(6-methyl-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
SMILESCc1ccc(C)c(N2CCCc3nc4ccc(-c5ccc(C)nc5)cn4c32)c1
InChIInChI=1S/C24H24N4/c1-16-6-7-17(2)22(13-16)27-12-4-5-21-24(27)28-15-20(10-11-23(28)26-21)19-9-8-18(3)25-14-19/h6-11,13-15H,4-5,12H2,1-3H3
InChIKeyYDCUKVIMDGBKHV-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.41
Rot. Bonds2

About 3-(2,5-dimethylphenyl)-12-(6-methyl-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene

3-(2,5-dimethylphenyl)-12-(6-methyl-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene (PubChem CID 145157602) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-12-(6-methyl-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-12-(6-methyl-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
PubChem CID145157602
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC Name3-(2,5-dimethylphenyl)-12-(6-methyl-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
SMILESCc1ccc(C)c(N2CCCc3nc4ccc(-c5ccc(C)nc5)cn4c32)c1
InChIInChI=1S/C24H24N4/c1-16-6-7-17(2)22(13-16)27-12-4-5-21-24(27)28-15-20(10-11-23(28)26-21)19-9-8-18(3)25-14-19/h6-11,13-15H,4-5,12H2,1-3H3
InChIKeyYDCUKVIMDGBKHV-UHFFFAOYSA-N
XLogP5.41
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(2,5-dimethylphenyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl]phenyl]-5-methyl-1,3,4-oxadiazole
CID 122540220
3-bromo-8-methyl-6-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridine
CID 90178656
4-(6-methoxy-3-pyridinyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-one
CID 118152407
9-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
CID 22579247
1-methyl-4-[2-methyl-4-(6-methyl-3-pyridinyl)phenyl]piperazine
CID 144901537
2-(6-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinoline
CID 59083944
5-[3-[3,5-bis[3-(6-methyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methylpyridine
CID 59412018
hexane;1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline
CID 145091188
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-11-phenyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 50800561
6-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 82055303
5-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 80754656
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine
CID 171335728

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-12-(6-methyl-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
The IUPAC name of 3-(2,5-dimethylphenyl)-12-(6-methyl-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene (CID 145157602) is 3-(2,5-dimethylphenyl)-12-(6-methyl-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-12-(6-methyl-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
The canonical SMILES for 3-(2,5-dimethylphenyl)-12-(6-methyl-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene is Cc1ccc(C)c(N2CCCc3nc4ccc(-c5ccc(C)nc5)cn4c32)c1.
What is the InChIKey of 3-(2,5-dimethylphenyl)-12-(6-methyl-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
The InChIKey is YDCUKVIMDGBKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4/c1-16-6-7-17(2)22(13-16)27-12-4-5-21-24(27)28-15-20(10-11-23(28)26-21)19-9-8-18(3)25-14-19/h6-11,13-15H,4-5,12H2,1-3H3.
What are the key properties of 3-(2,5-dimethylphenyl)-12-(6-methyl-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
3-(2,5-dimethylphenyl)-12-(6-methyl-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene has a molecular weight of 368.48 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-12-(6-methyl-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene is sourced from PubChem (CID 145157602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).