2-(12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraen-4-yl)ethanol

C11H14N4O — CID 166710369

IUPAC2-(12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraen-4-yl)ethanol
SMILESCc1nnc2n1C1C=C(CCO)NC1C=C2
InChIInChI=1S/C11H14N4O/c1-7-13-14-11-3-2-9-10(15(7)11)6-8(12-9)4-5-16/h2-3,6,9-10,12,16H,4-5H2,1H3
InChIKeyCFFRUTLYHARFBA-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.39
Rot. Bonds2

About 2-(12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraen-4-yl)ethanol

2-(12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraen-4-yl)ethanol (PubChem CID 166710369) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraen-4-yl)ethanol.

Molecular Properties

Compound Name2-(12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraen-4-yl)ethanol
PubChem CID166710369
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-(12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraen-4-yl)ethanol
SMILESCc1nnc2n1C1C=C(CCO)NC1C=C2
InChIInChI=1S/C11H14N4O/c1-7-13-14-11-3-2-9-10(15(7)11)6-8(12-9)4-5-16/h2-3,6,9-10,12,16H,4-5H2,1H3
InChIKeyCFFRUTLYHARFBA-UHFFFAOYSA-N
XLogP0.39
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraen-4-yl)ethanol?
The IUPAC name of 2-(12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraen-4-yl)ethanol (CID 166710369) is 2-(12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraen-4-yl)ethanol.
What is the SMILES notation for 2-(12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraen-4-yl)ethanol?
The canonical SMILES for 2-(12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraen-4-yl)ethanol is Cc1nnc2n1C1C=C(CCO)NC1C=C2.
What is the InChIKey of 2-(12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraen-4-yl)ethanol?
The InChIKey is CFFRUTLYHARFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7-13-14-11-3-2-9-10(15(7)11)6-8(12-9)4-5-16/h2-3,6,9-10,12,16H,4-5H2,1H3.
What are the key properties of 2-(12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraen-4-yl)ethanol?
2-(12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraen-4-yl)ethanol has a molecular weight of 218.26 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraen-4-yl)ethanol is sourced from PubChem (CID 166710369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).