8-(2,4-dichlorophenyl)-6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene

C15H13Cl2N5 — CID 137178184

IUPAC8-(2,4-dichlorophenyl)-6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene
SMILESCc1[nH]nc2c1C(c1ccc(Cl)cc1Cl)c1c(n[nH]c1C)N2
InChIInChI=1S/C15H13Cl2N5/c1-6-11-13(9-4-3-8(16)5-10(9)17)12-7(2)20-22-15(12)18-14(11)21-19-6/h3-5,13H,1-2H3,(H3,18,19,20,21,22)
InChIKeyPRQHAQPFYQFUPG-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.29
Rot. Bonds1

About 8-(2,4-dichlorophenyl)-6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene

8-(2,4-dichlorophenyl)-6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene (PubChem CID 137178184) has the molecular formula C15H13Cl2N5 and a molecular weight of 334.21 g/mol. Its IUPAC name is 8-(2,4-dichlorophenyl)-6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene.

Molecular Properties

Compound Name8-(2,4-dichlorophenyl)-6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene
PubChem CID137178184
Molecular FormulaC15H13Cl2N5
Molecular Weight334.21 g/mol
Exact Mass333.05
IUPAC Name8-(2,4-dichlorophenyl)-6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene
SMILESCc1[nH]nc2c1C(c1ccc(Cl)cc1Cl)c1c(n[nH]c1C)N2
InChIInChI=1S/C15H13Cl2N5/c1-6-11-13(9-4-3-8(16)5-10(9)17)12-7(2)20-22-15(12)18-14(11)21-19-6/h3-5,13H,1-2H3,(H3,18,19,20,21,22)
InChIKeyPRQHAQPFYQFUPG-UHFFFAOYSA-N
XLogP4.29
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 8-(2,4-dichlorophenyl)-6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene with MolForge

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Related Compounds

4-(6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraen-8-yl)benzene-1,3-diol
CID 137295266
6,10-dimethyl-8-(4-methylphenyl)-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene
CID 137193910
(8S)-8-(4-chlorophenyl)-6-methyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,6-triene-10,12-dione
CID 135898236
8-(4-methoxyphenyl)-6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene
CID 137178188
6,10-dimethyl-8-(3-nitrophenyl)-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene
CID 137178190
3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135621381
(8S)-8-(4-chlorophenyl)-6-methyl-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3,6-trien-10-one
CID 135930131
dimethyl 4-(2,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 982608
2-(2,4-dichlorophenyl)-3-methylsulfonyloxirane
CID 117063408
(4R,6R)-4-(2,3-dichlorophenyl)-3,6-dimethyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one
CID 135701981
(4R)-4-(2-chlorophenyl)-3-methyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one
CID 136917250
3-(2,4-dichlorophenyl)-2,2-dimethyloxirane
CID 116864111

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dichlorophenyl)-6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene?
The IUPAC name of 8-(2,4-dichlorophenyl)-6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene (CID 137178184) is 8-(2,4-dichlorophenyl)-6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene.
What is the SMILES notation for 8-(2,4-dichlorophenyl)-6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene?
The canonical SMILES for 8-(2,4-dichlorophenyl)-6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene is Cc1[nH]nc2c1C(c1ccc(Cl)cc1Cl)c1c(n[nH]c1C)N2.
What is the InChIKey of 8-(2,4-dichlorophenyl)-6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene?
The InChIKey is PRQHAQPFYQFUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5/c1-6-11-13(9-4-3-8(16)5-10(9)17)12-7(2)20-22-15(12)18-14(11)21-19-6/h3-5,13H,1-2H3,(H3,18,19,20,21,22).
What are the key properties of 8-(2,4-dichlorophenyl)-6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene?
8-(2,4-dichlorophenyl)-6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene has a molecular weight of 334.21 g/mol, XLogP of 4.29, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dichlorophenyl)-6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene is sourced from PubChem (CID 137178184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).