4-ethyl-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3,5,9,11-tetrol

C12H14N2O4 — CID 54065906

IUPAC4-ethyl-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3,5,9,11-tetrol
SMILESCCn1c(O)c2c(c1O)-c1c(c(O)n(C)c1O)C2
InChIInChI=1S/C12H14N2O4/c1-3-14-10(16)6-4-5-7(8(6)12(14)18)11(17)13(2)9(5)15/h15-18H,3-4H2,1-2H3
InChIKeyMCYNCRHUMLADIF-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.24
Rot. Bonds1

About 4-ethyl-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3,5,9,11-tetrol

4-ethyl-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3,5,9,11-tetrol (PubChem CID 54065906) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 4-ethyl-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3,5,9,11-tetrol.

Molecular Properties

Compound Name4-ethyl-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3,5,9,11-tetrol
PubChem CID54065906
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name4-ethyl-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3,5,9,11-tetrol
SMILESCCn1c(O)c2c(c1O)-c1c(c(O)n(C)c1O)C2
InChIInChI=1S/C12H14N2O4/c1-3-14-10(16)6-4-5-7(8(6)12(14)18)11(17)13(2)9(5)15/h15-18H,3-4H2,1-2H3
InChIKeyMCYNCRHUMLADIF-UHFFFAOYSA-N
XLogP1.24
TPSA90.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3,5,9,11-tetrol?
The IUPAC name of 4-ethyl-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3,5,9,11-tetrol (CID 54065906) is 4-ethyl-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3,5,9,11-tetrol.
What is the SMILES notation for 4-ethyl-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3,5,9,11-tetrol?
The canonical SMILES for 4-ethyl-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3,5,9,11-tetrol is CCn1c(O)c2c(c1O)-c1c(c(O)n(C)c1O)C2.
What is the InChIKey of 4-ethyl-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3,5,9,11-tetrol?
The InChIKey is MCYNCRHUMLADIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-3-14-10(16)6-4-5-7(8(6)12(14)18)11(17)13(2)9(5)15/h15-18H,3-4H2,1-2H3.
What are the key properties of 4-ethyl-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3,5,9,11-tetrol?
4-ethyl-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3,5,9,11-tetrol has a molecular weight of 250.25 g/mol, XLogP of 1.24, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene-3,5,9,11-tetrol is sourced from PubChem (CID 54065906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).