(12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol

C11H17N3O — CID 118547661

IUPAC(12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol
SMILESCn1nnc2c1CCC1C(CO)C1CC2
InChIInChI=1S/C11H17N3O/c1-14-11-5-3-8-7(9(8)6-15)2-4-10(11)12-13-14/h7-9,15H,2-6H2,1H3
InChIKeyIVFJCBUIBYWBFJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.55
Rot. Bonds1

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

(12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol (PubChem CID 118547661) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol.

Molecular Properties

Compound Name(12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol
PubChem CID118547661
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol
SMILESCn1nnc2c1CCC1C(CO)C1CC2
InChIInChI=1S/C11H17N3O/c1-14-11-5-3-8-7(9(8)6-15)2-4-10(11)12-13-14/h7-9,15H,2-6H2,1H3
InChIKeyIVFJCBUIBYWBFJ-UHFFFAOYSA-N
XLogP0.55
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol 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 (12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol?
The IUPAC name of (12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol (CID 118547661) is (12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol.
What is the SMILES notation for (12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol?
The canonical SMILES for (12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol is Cn1nnc2c1CCC1C(CO)C1CC2.
What is the InChIKey of (12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol?
The InChIKey is IVFJCBUIBYWBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14-11-5-3-8-7(9(8)6-15)2-4-10(11)12-13-14/h7-9,15H,2-6H2,1H3.
What are the key properties of (12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol?
(12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol has a molecular weight of 207.28 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol is sourced from PubChem (CID 118547661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).