(4S,6R)-5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene

C11H17N3 — CID 118478823

IUPAC(4S,6R)-5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
SMILESCC1[C@H]2CCc3nnn(C)c3CC[C@@H]12
InChIInChI=1S/C11H17N3/c1-7-8-3-5-10-11(6-4-9(7)8)14(2)13-12-10/h7-9H,3-6H2,1-2H3/t7?,8-,9+/m1/s1
InChIKeyORLDODHBZMZGAH-ASODMVGOSA-N
MW191.28 g/mol
LogP1.58
Rot. Bonds

About (4S,6R)-5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene

(4S,6R)-5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene (PubChem CID 118478823) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (4S,6R)-5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene.

Molecular Properties

Compound Name(4S,6R)-5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
PubChem CID118478823
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(4S,6R)-5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
SMILESCC1[C@H]2CCc3nnn(C)c3CC[C@@H]12
InChIInChI=1S/C11H17N3/c1-7-8-3-5-10-11(6-4-9(7)8)14(2)13-12-10/h7-9H,3-6H2,1-2H3/t7?,8-,9+/m1/s1
InChIKeyORLDODHBZMZGAH-ASODMVGOSA-N
XLogP1.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S,6R)-5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-1,4-dimethyl-6,7,8,9-tetrahydro-5H-cycloocta[d]triazole
CID 117662049
4-Fluoro-1-methyl-4,5,6,7,8,9-hexahydrocycloocta[d]triazole
CID 118281968
4-fluoro-1,4-di(propan-2-yl)-6,7,8,9-tetrahydro-5H-cycloocta[d]triazole
CID 118696715
4,4-difluoro-1,5-dimethyl-6,7,8,9-tetrahydro-5H-cycloocta[d]triazole
CID 118697214
9,9-difluoro-3,6-di(propan-2-yl)-5,6,7,8-tetrahydro-4H-cycloocta[d]triazole
CID 122674719
9,9-difluoro-3,6-dimethyl-5,6,7,8-tetrahydro-4H-cycloocta[d]triazole
CID 122674782
4,4-difluoro-3,5-dimethyl-6,7,8,9-tetrahydro-5H-cycloocta[d]triazole
CID 124101327
5-ethyl-4,4-difluoro-1-methyl-6,7,8,9-tetrahydro-5H-cycloocta[d]triazole
CID 126707571
6-ethyl-9,9-difluoro-3-methyl-5,6,7,8-tetrahydro-4H-cycloocta[d]triazole
CID 126707572
3,6-diethyl-9,9-difluoro-5,6,7,8-tetrahydro-4H-cycloocta[d]triazole
CID 126707583
1,6-diethyl-9,9-difluoro-5,6,7,8-tetrahydro-4H-cycloocta[d]triazole
CID 126717320
5-ethyl-4,4-difluoro-3-methyl-6,7,8,9-tetrahydro-5H-cycloocta[d]triazole
CID 126717324

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
The IUPAC name of (4S,6R)-5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene (CID 118478823) is (4S,6R)-5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene.
What is the SMILES notation for (4S,6R)-5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
The canonical SMILES for (4S,6R)-5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene is CC1[C@H]2CCc3nnn(C)c3CC[C@@H]12.
What is the InChIKey of (4S,6R)-5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
The InChIKey is ORLDODHBZMZGAH-ASODMVGOSA-N. The full InChI is InChI=1S/C11H17N3/c1-7-8-3-5-10-11(6-4-9(7)8)14(2)13-12-10/h7-9H,3-6H2,1-2H3/t7?,8-,9+/m1/s1.
What are the key properties of (4S,6R)-5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
(4S,6R)-5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene has a molecular weight of 191.28 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene is sourced from PubChem (CID 118478823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).