2-(2-chlorophenyl)-4-methyl-6-phenyl-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraene

C19H15ClN6 — CID 137250210

IUPAC2-(2-chlorophenyl)-4-methyl-6-phenyl-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraene
SMILESCc1nn(-c2ccccc2)c2c1C(c1ccccc1Cl)n1ncnc1N2
InChIInChI=1S/C19H15ClN6/c1-12-16-17(14-9-5-6-10-15(14)20)26-19(21-11-22-26)23-18(16)25(24-12)13-7-3-2-4-8-13/h2-11,17H,1H3,(H,21,22,23)
InChIKeyCFDXLJLYPYZHAU-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.12
Rot. Bonds2

About 2-(2-chlorophenyl)-4-methyl-6-phenyl-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraene

2-(2-chlorophenyl)-4-methyl-6-phenyl-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraene (PubChem CID 137250210) has the molecular formula C19H15ClN6 and a molecular weight of 362.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-methyl-6-phenyl-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraene.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-methyl-6-phenyl-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraene
PubChem CID137250210
Molecular FormulaC19H15ClN6
Molecular Weight362.82 g/mol
Exact Mass362.10
IUPAC Name2-(2-chlorophenyl)-4-methyl-6-phenyl-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraene
SMILESCc1nn(-c2ccccc2)c2c1C(c1ccccc1Cl)n1ncnc1N2
InChIInChI=1S/C19H15ClN6/c1-12-16-17(14-9-5-6-10-15(14)20)26-19(21-11-22-26)23-18(16)25(24-12)13-7-3-2-4-8-13/h2-11,17H,1H3,(H,21,22,23)
InChIKeyCFDXLJLYPYZHAU-UHFFFAOYSA-N
XLogP4.12
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-chlorophenyl)-3-methyl-1-phenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135823564
(7R)-7-(2-chlorophenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137119585
butyl 7-(2-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 135572450
(6R,9R)-9-(2-chlorophenyl)-6-(2-methylphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135772308
(7R)-7-(2-chlorophenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 1181406
(6R,9S)-9-(2-chlorophenyl)-6-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135787603
(7S)-7-(2-chlorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 135617920
(7S)-7-(2,3-dichlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135744338
(4S)-4-(4-methoxyphenyl)-3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one
CID 2088681
(7R)-7-(2,3-dichlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135744337
(4S)-3-methyl-4-(2-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737482
(7S)-7-(2-chlorophenyl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 708866

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-methyl-6-phenyl-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraene?
The IUPAC name of 2-(2-chlorophenyl)-4-methyl-6-phenyl-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraene (CID 137250210) is 2-(2-chlorophenyl)-4-methyl-6-phenyl-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraene.
What is the SMILES notation for 2-(2-chlorophenyl)-4-methyl-6-phenyl-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraene?
The canonical SMILES for 2-(2-chlorophenyl)-4-methyl-6-phenyl-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraene is Cc1nn(-c2ccccc2)c2c1C(c1ccccc1Cl)n1ncnc1N2.
What is the InChIKey of 2-(2-chlorophenyl)-4-methyl-6-phenyl-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraene?
The InChIKey is CFDXLJLYPYZHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6/c1-12-16-17(14-9-5-6-10-15(14)20)26-19(21-11-22-26)23-18(16)25(24-12)13-7-3-2-4-8-13/h2-11,17H,1H3,(H,21,22,23).
What are the key properties of 2-(2-chlorophenyl)-4-methyl-6-phenyl-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraene?
2-(2-chlorophenyl)-4-methyl-6-phenyl-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraene has a molecular weight of 362.82 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-methyl-6-phenyl-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraene is sourced from PubChem (CID 137250210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).