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

C12H19N3O — CID 90184352

IUPAC(12-ethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol
SMILESCCn1nnc2c1CCC1C(CO)C1CC2
InChIInChI=1S/C12H19N3O/c1-2-15-12-6-4-9-8(10(9)7-16)3-5-11(12)13-14-15/h8-10,16H,2-7H2,1H3
InChIKeyIOAGZDJJRIOIJI-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.03
Rot. Bonds2

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

(12-ethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol (PubChem CID 90184352) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (12-ethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol.

Molecular Properties

Compound Name(12-ethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol
PubChem CID90184352
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(12-ethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol
SMILESCCn1nnc2c1CCC1C(CO)C1CC2
InChIInChI=1S/C12H19N3O/c1-2-15-12-6-4-9-8(10(9)7-16)3-5-11(12)13-14-15/h8-10,16H,2-7H2,1H3
InChIKeyIOAGZDJJRIOIJI-UHFFFAOYSA-N
XLogP1.03
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (12-ethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol?
The IUPAC name of (12-ethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol (CID 90184352) is (12-ethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol.
What is the SMILES notation for (12-ethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol?
The canonical SMILES for (12-ethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol is CCn1nnc2c1CCC1C(CO)C1CC2.
What is the InChIKey of (12-ethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol?
The InChIKey is IOAGZDJJRIOIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-15-12-6-4-9-8(10(9)7-16)3-5-11(12)13-14-15/h8-10,16H,2-7H2,1H3.
What are the key properties of (12-ethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol?
(12-ethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol has a molecular weight of 221.30 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (12-ethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methanol is sourced from PubChem (CID 90184352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).