11-chloro-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene

C10H9ClN2 — CID 96624013

IUPAC11-chloro-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene
SMILESClc1ccc2c3c(c[nH]c13)CNC2
InChIInChI=1S/C10H9ClN2/c11-8-2-1-6-3-12-4-7-5-13-10(8)9(6)7/h1-2,5,12-13H,3-4H2
InChIKeyVWUOFUZESYQQLD-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.42
Rot. Bonds

About 11-chloro-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene

11-chloro-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene (PubChem CID 96624013) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 11-chloro-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene.

Molecular Properties

Compound Name11-chloro-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene
PubChem CID96624013
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name11-chloro-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene
SMILESClc1ccc2c3c(c[nH]c13)CNC2
InChIInChI=1S/C10H9ClN2/c11-8-2-1-6-3-12-4-7-5-13-10(8)9(6)7/h1-2,5,12-13H,3-4H2
InChIKeyVWUOFUZESYQQLD-UHFFFAOYSA-N
XLogP2.42
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11-chloro-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene?
The IUPAC name of 11-chloro-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene (CID 96624013) is 11-chloro-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene.
What is the SMILES notation for 11-chloro-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene?
The canonical SMILES for 11-chloro-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene is Clc1ccc2c3c(c[nH]c13)CNC2.
What is the InChIKey of 11-chloro-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene?
The InChIKey is VWUOFUZESYQQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c11-8-2-1-6-3-12-4-7-5-13-10(8)9(6)7/h1-2,5,12-13H,3-4H2.
What are the key properties of 11-chloro-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene?
11-chloro-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene has a molecular weight of 192.65 g/mol, XLogP of 2.42, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene is sourced from PubChem (CID 96624013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).