11-(4-chlorophenyl)-1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene

C15H10ClN3 — CID 166473715

IUPAC11-(4-chlorophenyl)-1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESClc1ccc(-c2cn3c(ccc4[nH]ccc43)n2)cc1
InChIInChI=1S/C15H10ClN3/c16-11-3-1-10(2-4-11)13-9-19-14-7-8-17-12(14)5-6-15(19)18-13/h1-9,17H
InChIKeyNCOVGFFJACQOQA-UHFFFAOYSA-N
MW267.72 g/mol
LogP4.14
Rot. Bonds1

About 11-(4-chlorophenyl)-1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene

11-(4-chlorophenyl)-1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene (PubChem CID 166473715) has the molecular formula C15H10ClN3 and a molecular weight of 267.72 g/mol. Its IUPAC name is 11-(4-chlorophenyl)-1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene.

Molecular Properties

Compound Name11-(4-chlorophenyl)-1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
PubChem CID166473715
Molecular FormulaC15H10ClN3
Molecular Weight267.72 g/mol
Exact Mass267.06
IUPAC Name11-(4-chlorophenyl)-1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESClc1ccc(-c2cn3c(ccc4[nH]ccc43)n2)cc1
InChIInChI=1S/C15H10ClN3/c16-11-3-1-10(2-4-11)13-9-19-14-7-8-17-12(14)5-6-15(19)18-13/h1-9,17H
InChIKeyNCOVGFFJACQOQA-UHFFFAOYSA-N
XLogP4.14
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridine
CID 621775
2-(4-chlorophenyl)-5-fluoroimidazo[1,2-a]pyridine
CID 155255024
6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazine
CID 15749998
2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole
CID 667714
6-bromo-2-(3-chloro-4-fluorophenyl)-5-methylimidazo[1,2-a]pyridine
CID 115403666
2-(4-bromophenyl)-6-chloroimidazo[1,2-a]pyridine;hydrobromide
CID 67123039
2-(4-chlorophenyl)-6-nitroimidazo[1,2-a]pyridine
CID 67122921
2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-6-amine
CID 63944685
2-(4-chlorophenyl)-4-prop-2-enylimidazo[1,2-a]benzimidazole;hydrochloride
CID 2858719
4-(4-chlorophenyl)-2,5,7-triazatricyclo[6.5.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-9-amine
CID 10266483
6-(4-chlorophenyl)-8-phenylimidazo[1,2-a][1,8]naphthyridine
CID 11199068
5-bromo-2-(3-chlorophenyl)imidazo[1,2-a]pyridine
CID 117133012

Frequently Asked Questions

What is the IUPAC name of 11-(4-chlorophenyl)-1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The IUPAC name of 11-(4-chlorophenyl)-1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene (CID 166473715) is 11-(4-chlorophenyl)-1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene.
What is the SMILES notation for 11-(4-chlorophenyl)-1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The canonical SMILES for 11-(4-chlorophenyl)-1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene is Clc1ccc(-c2cn3c(ccc4[nH]ccc43)n2)cc1.
What is the InChIKey of 11-(4-chlorophenyl)-1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The InChIKey is NCOVGFFJACQOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3/c16-11-3-1-10(2-4-11)13-9-19-14-7-8-17-12(14)5-6-15(19)18-13/h1-9,17H.
What are the key properties of 11-(4-chlorophenyl)-1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
11-(4-chlorophenyl)-1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene has a molecular weight of 267.72 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-chlorophenyl)-1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene is sourced from PubChem (CID 166473715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).