12-deuterio-10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaene

C10H10N4O — CID 175764708

IUPAC12-deuterio-10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaene
SMILES[2H]c1cc(OCC)cn2nc3[nH]ncc3c12
InChIInChI=1S/C10H10N4O/c1-2-15-7-3-4-9-8-5-11-12-10(8)13-14(9)6-7/h3-6H,2H2,1H3,(H,12,13)/i4D
InChIKeyJKXXQGYAOIQJLG-QYKNYGDISA-N
MW203.22 g/mol
LogP1.61
Rot. Bonds2

About 12-deuterio-10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaene

12-deuterio-10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaene (PubChem CID 175764708) has the molecular formula C10H10N4O and a molecular weight of 203.22 g/mol. Its IUPAC name is 12-deuterio-10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaene.

Molecular Properties

Compound Name12-deuterio-10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaene
PubChem CID175764708
Molecular FormulaC10H10N4O
Molecular Weight203.22 g/mol
Exact Mass203.09
IUPAC Name12-deuterio-10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaene
SMILES[2H]c1cc(OCC)cn2nc3[nH]ncc3c12
InChIInChI=1S/C10H10N4O/c1-2-15-7-3-4-9-8-5-11-12-10(8)13-14(9)6-7/h3-6H,2H2,1H3,(H,12,13)/i4D
InChIKeyJKXXQGYAOIQJLG-QYKNYGDISA-N
XLogP1.61
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 12-deuterio-10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaene?
The IUPAC name of 12-deuterio-10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaene (CID 175764708) is 12-deuterio-10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaene.
What is the SMILES notation for 12-deuterio-10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaene?
The canonical SMILES for 12-deuterio-10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaene is [2H]c1cc(OCC)cn2nc3[nH]ncc3c12.
What is the InChIKey of 12-deuterio-10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaene?
The InChIKey is JKXXQGYAOIQJLG-QYKNYGDISA-N. The full InChI is InChI=1S/C10H10N4O/c1-2-15-7-3-4-9-8-5-11-12-10(8)13-14(9)6-7/h3-6H,2H2,1H3,(H,12,13)/i4D.
What are the key properties of 12-deuterio-10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaene?
12-deuterio-10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaene has a molecular weight of 203.22 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-deuterio-10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaene is sourced from PubChem (CID 175764708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).