10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene

C9H8N2O — CID 59179367

IUPAC10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene
SMILESc1cc2c3c(ccn2n1)OCC3
InChIInChI=1S/C9H8N2O/c1-4-10-11-5-2-9-7(8(1)11)3-6-12-9/h1-2,4-5H,3,6H2
InChIKeyKZCWJMWHLTVAGZ-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.27
Rot. Bonds

About 10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene

10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene (PubChem CID 59179367) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene.

Molecular Properties

Compound Name10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene
PubChem CID59179367
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene
SMILESc1cc2c3c(ccn2n1)OCC3
InChIInChI=1S/C9H8N2O/c1-4-10-11-5-2-9-7(8(1)11)3-6-12-9/h1-2,4-5H,3,6H2
InChIKeyKZCWJMWHLTVAGZ-UHFFFAOYSA-N
XLogP1.27
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Efppea
CID 24954989
N-[2-(4-ethyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]propanamide
CID 24954990
N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide
CID 24954991
N-{2-[2-(trifluoromethyl)-8,9-dihydrofuro[3,2-c]pyrazolo[1,5-a]pyridin-1-yl]ethyl}acetamide
CID 24954992
N-[2-(4-phenyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide
CID 24955343
(NE)-N-[[5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-3-yl]methylidene]hydroxylamine
CID 25093832
N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]propanamide
CID 53310839
N-[2-(4-cyclopropyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide
CID 53310840
N-[2-(4-cyclopropyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]propanamide
CID 53310841
CID 53310987
CID 53310987
4-cyclohexyloxy-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-2H-pyrazolo[4,3-c]pyridine
CID 56943105
7-(Cyclopentyloxy)-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 21027369

Frequently Asked Questions

What is the IUPAC name of 10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene?
The IUPAC name of 10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene (CID 59179367) is 10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene.
What is the SMILES notation for 10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene?
The canonical SMILES for 10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene is c1cc2c3c(ccn2n1)OCC3.
What is the InChIKey of 10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene?
The InChIKey is KZCWJMWHLTVAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-4-10-11-5-2-9-7(8(1)11)3-6-12-9/h1-2,4-5H,3,6H2.
What are the key properties of 10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene?
10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene has a molecular weight of 160.18 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene is sourced from PubChem (CID 59179367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).