4-chloro-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene

C13H15ClN2 — CID 115403840

IUPAC4-chloro-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene
SMILESClc1ccc2nc3c(n2c1)CCCCCC3
InChIInChI=1S/C13H15ClN2/c14-10-7-8-13-15-11-5-3-1-2-4-6-12(11)16(13)9-10/h7-9H,1-6H2
InChIKeyWORKVAAKKJTNOV-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.65
Rot. Bonds

About 4-chloro-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene

4-chloro-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene (PubChem CID 115403840) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 4-chloro-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene.

Molecular Properties

Compound Name4-chloro-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene
PubChem CID115403840
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name4-chloro-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene
SMILESClc1ccc2nc3c(n2c1)CCCCCC3
InChIInChI=1S/C13H15ClN2/c14-10-7-8-13-15-11-5-3-1-2-4-6-12(11)16(13)9-10/h7-9H,1-6H2
InChIKeyWORKVAAKKJTNOV-UHFFFAOYSA-N
XLogP3.65
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

15-bromo-13,19-diazatricyclo[10.7.0.013,18]nonadeca-1(12),14,16,18-tetraene
CID 115403550
12-chloro-4-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 115403863
12-chloro-4-ethyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 115403880
2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene
CID 51345842
2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraen-5-ylmethanamine
CID 81462726
12-chloro-3-phenyl-4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 118152398
4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 115281707
6-chloro-N,2-dicyclohexylimidazo[1,2-a]pyridin-3-amine
CID 808991
7-chloro-2-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 146082591
7-chloro-2-methylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one
CID 11837317
6-chloro-3-methylimidazo[1,2-a]pyridin-2-amine;hydrochloride
CID 67953996
2,6-dichloroimidazo[1,2-a]pyridine-3-carbaldehyde
CID 14963394

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene?
The IUPAC name of 4-chloro-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene (CID 115403840) is 4-chloro-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene.
What is the SMILES notation for 4-chloro-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene?
The canonical SMILES for 4-chloro-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene is Clc1ccc2nc3c(n2c1)CCCCCC3.
What is the InChIKey of 4-chloro-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene?
The InChIKey is WORKVAAKKJTNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c14-10-7-8-13-15-11-5-3-1-2-4-6-12(11)16(13)9-10/h7-9H,1-6H2.
What are the key properties of 4-chloro-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene?
4-chloro-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene has a molecular weight of 234.73 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene is sourced from PubChem (CID 115403840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).