6-chloro-5-methyl-2,10-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene

C9H7ClN2 — CID 176540172

IUPAC6-chloro-5-methyl-2,10-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
SMILESCC1=C=CN=c2[nH]ccc2=C1Cl
InChIInChI=1S/C9H7ClN2/c1-6-2-4-11-9-7(8(6)10)3-5-12-9/h3-5H,1H3,(H,11,12)
InChIKeySNRMRADJQJQQLK-UHFFFAOYSA-N
MW178.62 g/mol
LogP1.05
Rot. Bonds

About 6-chloro-5-methyl-2,10-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene

6-chloro-5-methyl-2,10-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene (PubChem CID 176540172) has the molecular formula C9H7ClN2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 6-chloro-5-methyl-2,10-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene.

Molecular Properties

Compound Name6-chloro-5-methyl-2,10-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
PubChem CID176540172
Molecular FormulaC9H7ClN2
Molecular Weight178.62 g/mol
Exact Mass178.03
IUPAC Name6-chloro-5-methyl-2,10-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
SMILESCC1=C=CN=c2[nH]ccc2=C1Cl
InChIInChI=1S/C9H7ClN2/c1-6-2-4-11-9-7(8(6)10)3-5-12-9/h3-5H,1H3,(H,11,12)
InChIKeySNRMRADJQJQQLK-UHFFFAOYSA-N
XLogP1.05
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-2,10-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene?
The IUPAC name of 6-chloro-5-methyl-2,10-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene (CID 176540172) is 6-chloro-5-methyl-2,10-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene.
What is the SMILES notation for 6-chloro-5-methyl-2,10-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene?
The canonical SMILES for 6-chloro-5-methyl-2,10-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene is CC1=C=CN=c2[nH]ccc2=C1Cl.
What is the InChIKey of 6-chloro-5-methyl-2,10-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene?
The InChIKey is SNRMRADJQJQQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2/c1-6-2-4-11-9-7(8(6)10)3-5-12-9/h3-5H,1H3,(H,11,12).
What are the key properties of 6-chloro-5-methyl-2,10-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene?
6-chloro-5-methyl-2,10-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene has a molecular weight of 178.62 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-2,10-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene is sourced from PubChem (CID 176540172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).