9-methyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-11-amine

C11H13N3 — CID 83966735

IUPAC9-methyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-11-amine
SMILESCc1cc(N)cn2c3c(nc12)CCC3
InChIInChI=1S/C11H13N3/c1-7-5-8(12)6-14-10-4-2-3-9(10)13-11(7)14/h5-6H,2-4,12H2,1H3
InChIKeyNVNJOJSXKDJDJC-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.71
Rot. Bonds

About 9-methyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-11-amine

9-methyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-11-amine (PubChem CID 83966735) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 9-methyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-11-amine.

Molecular Properties

Compound Name9-methyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-11-amine
PubChem CID83966735
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name9-methyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-11-amine
SMILESCc1cc(N)cn2c3c(nc12)CCC3
InChIInChI=1S/C11H13N3/c1-7-5-8(12)6-14-10-4-2-3-9(10)13-11(7)14/h5-6H,2-4,12H2,1H3
InChIKeyNVNJOJSXKDJDJC-UHFFFAOYSA-N
XLogP1.71
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-11-amine?
The IUPAC name of 9-methyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-11-amine (CID 83966735) is 9-methyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-11-amine.
What is the SMILES notation for 9-methyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-11-amine?
The canonical SMILES for 9-methyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-11-amine is Cc1cc(N)cn2c3c(nc12)CCC3.
What is the InChIKey of 9-methyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-11-amine?
The InChIKey is NVNJOJSXKDJDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-7-5-8(12)6-14-10-4-2-3-9(10)13-11(7)14/h5-6H,2-4,12H2,1H3.
What are the key properties of 9-methyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-11-amine?
9-methyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-11-amine has a molecular weight of 187.25 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-11-amine is sourced from PubChem (CID 83966735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).