8-oxa-3,4,6,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one

C8H4N4O2 — CID 140634101

IUPAC8-oxa-3,4,6,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one
SMILESO=c1oc2ncccc2c2nncn12
InChIInChI=1S/C8H4N4O2/c13-8-12-4-10-11-6(12)5-2-1-3-9-7(5)14-8/h1-4H
InChIKeyDRUNNYQZTLEHBD-UHFFFAOYSA-N
MW188.15 g/mol
LogP0.23
Rot. Bonds

About 8-oxa-3,4,6,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one

8-oxa-3,4,6,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one (PubChem CID 140634101) has the molecular formula C8H4N4O2 and a molecular weight of 188.15 g/mol. Its IUPAC name is 8-oxa-3,4,6,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one.

Molecular Properties

Compound Name8-oxa-3,4,6,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one
PubChem CID140634101
Molecular FormulaC8H4N4O2
Molecular Weight188.15 g/mol
Exact Mass188.03
IUPAC Name8-oxa-3,4,6,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one
SMILESO=c1oc2ncccc2c2nncn12
InChIInChI=1S/C8H4N4O2/c13-8-12-4-10-11-6(12)5-2-1-3-9-7(5)14-8/h1-4H
InChIKeyDRUNNYQZTLEHBD-UHFFFAOYSA-N
XLogP0.23
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

chromeno[2,3-b]pyridin-5-one
CID 659312
5-bromo-[1,2,4]triazolo[4,3-a][1,8]naphthyridine
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6-chloro-[1,2,4]triazolo[4,3-a][1,8]naphthyridine
CID 152676816
[1,2]oxazolo[5,4-b]pyridin-3-one
CID 1201514
1-(2-morpholin-4-ylethyl)-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 10037683
9-fluoro-5-oxochromeno[2,3-b]pyridine-7-carbonitrile
CID 176770273
3-amino-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 123413936
8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 14638891
1-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 10429498
1-(3-methylfuro[2,3-b]pyridin-2-yl)ethenamine
CID 170031220
5-ethyl-[1]benzofuro[2,3-b]pyridine
CID 143904275
5-(4-methoxyphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
CID 155806521

Frequently Asked Questions

What is the IUPAC name of 8-oxa-3,4,6,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one?
The IUPAC name of 8-oxa-3,4,6,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one (CID 140634101) is 8-oxa-3,4,6,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one.
What is the SMILES notation for 8-oxa-3,4,6,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one?
The canonical SMILES for 8-oxa-3,4,6,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one is O=c1oc2ncccc2c2nncn12.
What is the InChIKey of 8-oxa-3,4,6,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one?
The InChIKey is DRUNNYQZTLEHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N4O2/c13-8-12-4-10-11-6(12)5-2-1-3-9-7(5)14-8/h1-4H.
What are the key properties of 8-oxa-3,4,6,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one?
8-oxa-3,4,6,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one has a molecular weight of 188.15 g/mol, XLogP of 0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-3,4,6,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one is sourced from PubChem (CID 140634101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).