(5,11-dimethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-3-yl)methanol

C11H17N3O — CID 58521577

IUPAC(5,11-dimethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-3-yl)methanol
SMILESCN1C2CCC1c1c(CO)nn(C)c1C2
InChIInChI=1S/C11H17N3O/c1-13-7-3-4-9(13)11-8(6-15)12-14(2)10(11)5-7/h7,9,15H,3-6H2,1-2H3
InChIKeyKMZYIXBPXCOLRB-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.60
Rot. Bonds1

About (5,11-dimethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-3-yl)methanol

(5,11-dimethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-3-yl)methanol (PubChem CID 58521577) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (5,11-dimethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-3-yl)methanol.

Molecular Properties

Compound Name(5,11-dimethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-3-yl)methanol
PubChem CID58521577
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(5,11-dimethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-3-yl)methanol
SMILESCN1C2CCC1c1c(CO)nn(C)c1C2
InChIInChI=1S/C11H17N3O/c1-13-7-3-4-9(13)11-8(6-15)12-14(2)10(11)5-7/h7,9,15H,3-6H2,1-2H3
InChIKeyKMZYIXBPXCOLRB-UHFFFAOYSA-N
XLogP0.60
TPSA41.29 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 ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5,11-dimethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-3-yl)methanol?
The IUPAC name of (5,11-dimethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-3-yl)methanol (CID 58521577) is (5,11-dimethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-3-yl)methanol.
What is the SMILES notation for (5,11-dimethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-3-yl)methanol?
The canonical SMILES for (5,11-dimethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-3-yl)methanol is CN1C2CCC1c1c(CO)nn(C)c1C2.
What is the InChIKey of (5,11-dimethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-3-yl)methanol?
The InChIKey is KMZYIXBPXCOLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-7-3-4-9(13)11-8(6-15)12-14(2)10(11)5-7/h7,9,15H,3-6H2,1-2H3.
What are the key properties of (5,11-dimethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-3-yl)methanol?
(5,11-dimethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-3-yl)methanol has a molecular weight of 207.28 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,11-dimethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-3-yl)methanol is sourced from PubChem (CID 58521577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).