[(4R,5R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine

C11H18N4 — CID 90065483

IUPAC[(4R,5R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine
SMILESCn1nnc2c1CC[C@H]1[C@@H](CN)[C@H]1CC2
InChIInChI=1S/C11H18N4/c1-15-11-5-3-8-7(9(8)6-12)2-4-10(11)13-14-15/h7-9H,2-6,12H2,1H3/t7-,8+,9-/m0/s1
InChIKeyXLZJKBLBNOWYRF-YIZRAAEISA-N
MW206.29 g/mol
LogP0.51
Rot. Bonds1

About [(4R,5R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine

[(4R,5R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine (PubChem CID 90065483) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is [(4R,5R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine.

Molecular Properties

Compound Name[(4R,5R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine
PubChem CID90065483
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name[(4R,5R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine
SMILESCn1nnc2c1CC[C@H]1[C@@H](CN)[C@H]1CC2
InChIInChI=1S/C11H18N4/c1-15-11-5-3-8-7(9(8)6-12)2-4-10(11)13-14-15/h7-9H,2-6,12H2,1H3/t7-,8+,9-/m0/s1
InChIKeyXLZJKBLBNOWYRF-YIZRAAEISA-N
XLogP0.51
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(4R,5R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(4R,5R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine?
The IUPAC name of [(4R,5R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine (CID 90065483) is [(4R,5R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine.
What is the SMILES notation for [(4R,5R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine?
The canonical SMILES for [(4R,5R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine is Cn1nnc2c1CC[C@H]1[C@@H](CN)[C@H]1CC2.
What is the InChIKey of [(4R,5R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine?
The InChIKey is XLZJKBLBNOWYRF-YIZRAAEISA-N. The full InChI is InChI=1S/C11H18N4/c1-15-11-5-3-8-7(9(8)6-12)2-4-10(11)13-14-15/h7-9H,2-6,12H2,1H3/t7-,8+,9-/m0/s1.
What are the key properties of [(4R,5R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine?
[(4R,5R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine has a molecular weight of 206.29 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanamine is sourced from PubChem (CID 90065483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).