2-chloro-10-ethyl-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene

C12H14ClN3 — CID 82274855

IUPAC2-chloro-10-ethyl-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
SMILESCCc1c(C)nn2c(Cl)c3c(nc12)CCC3
InChIInChI=1S/C12H14ClN3/c1-3-8-7(2)15-16-11(13)9-5-4-6-10(9)14-12(8)16/h3-6H2,1-2H3
InChIKeyBXKMUSXGBSJFMU-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.74
Rot. Bonds1

About 2-chloro-10-ethyl-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene

2-chloro-10-ethyl-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene (PubChem CID 82274855) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 2-chloro-10-ethyl-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene.

Molecular Properties

Compound Name2-chloro-10-ethyl-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
PubChem CID82274855
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name2-chloro-10-ethyl-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
SMILESCCc1c(C)nn2c(Cl)c3c(nc12)CCC3
InChIInChI=1S/C12H14ClN3/c1-3-8-7(2)15-16-11(13)9-5-4-6-10(9)14-12(8)16/h3-6H2,1-2H3
InChIKeyBXKMUSXGBSJFMU-UHFFFAOYSA-N
XLogP2.74
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-10-ethyl-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-10-(2-fluorophenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 82274863
9-chloro-3-(3,4-dichlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
CID 82274820
2-chloro-11-methyl-10-(4-nitrophenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 82274875
9-chloro-2-methyl-3-(4-nitrophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
CID 82274827
2-chloro-11-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 82269894
7-chloro-6-ethyl-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine
CID 104621702
2-chloro-11-(4-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 82269902
2-butyl-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 66021190
3-benzyl-9-chloro-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
CID 82274804
10-(4-chlorophenyl)-11-methyl-2-(trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 1319941
10-(4-chloro-2-methylphenyl)-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 68707036
8-chloro-5-methylsulfanyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
CID 11184756

Frequently Asked Questions

What is the IUPAC name of 2-chloro-10-ethyl-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
The IUPAC name of 2-chloro-10-ethyl-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene (CID 82274855) is 2-chloro-10-ethyl-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene.
What is the SMILES notation for 2-chloro-10-ethyl-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
The canonical SMILES for 2-chloro-10-ethyl-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene is CCc1c(C)nn2c(Cl)c3c(nc12)CCC3.
What is the InChIKey of 2-chloro-10-ethyl-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
The InChIKey is BXKMUSXGBSJFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-3-8-7(2)15-16-11(13)9-5-4-6-10(9)14-12(8)16/h3-6H2,1-2H3.
What are the key properties of 2-chloro-10-ethyl-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
2-chloro-10-ethyl-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene has a molecular weight of 235.72 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-ethyl-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene is sourced from PubChem (CID 82274855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).