(6R)-12-methyl-5-methylidene-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene

C11H15N3 — CID 118372146

IUPAC(6R)-12-methyl-5-methylidene-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
SMILESC=C1C2CCc3c(nnn3C)CC[C@@H]12
InChIInChI=1S/C11H15N3/c1-7-8-3-5-10-11(6-4-9(7)8)14(2)13-12-10/h8-9H,1,3-6H2,2H3/t8-,9?/m0/s1
InChIKeyKQUPRKRYHNILEB-IENPIDJESA-N
MW189.26 g/mol
LogP1.50
Rot. Bonds

About (6R)-12-methyl-5-methylidene-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene

(6R)-12-methyl-5-methylidene-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene (PubChem CID 118372146) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is (6R)-12-methyl-5-methylidene-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene.

Molecular Properties

Compound Name(6R)-12-methyl-5-methylidene-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
PubChem CID118372146
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name(6R)-12-methyl-5-methylidene-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
SMILESC=C1C2CCc3c(nnn3C)CC[C@@H]12
InChIInChI=1S/C11H15N3/c1-7-8-3-5-10-11(6-4-9(7)8)14(2)13-12-10/h8-9H,1,3-6H2,2H3/t8-,9?/m0/s1
InChIKeyKQUPRKRYHNILEB-IENPIDJESA-N
XLogP1.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-12-methyl-5-methylidene-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
The IUPAC name of (6R)-12-methyl-5-methylidene-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene (CID 118372146) is (6R)-12-methyl-5-methylidene-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene.
What is the SMILES notation for (6R)-12-methyl-5-methylidene-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
The canonical SMILES for (6R)-12-methyl-5-methylidene-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene is C=C1C2CCc3c(nnn3C)CC[C@@H]12.
What is the InChIKey of (6R)-12-methyl-5-methylidene-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
The InChIKey is KQUPRKRYHNILEB-IENPIDJESA-N. The full InChI is InChI=1S/C11H15N3/c1-7-8-3-5-10-11(6-4-9(7)8)14(2)13-12-10/h8-9H,1,3-6H2,2H3/t8-,9?/m0/s1.
What are the key properties of (6R)-12-methyl-5-methylidene-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
(6R)-12-methyl-5-methylidene-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene has a molecular weight of 189.26 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-12-methyl-5-methylidene-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene is sourced from PubChem (CID 118372146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).