5,11-dimethyl-4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene

C8H6N4O2 — CID 130352001

IUPAC5,11-dimethyl-4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene
SMILESCc1nc2nc3oc(C)nc3nc2o1
InChIInChI=1S/C8H6N4O2/c1-3-9-5-7(13-3)12-6-8(11-5)14-4(2)10-6/h1-2H3
InChIKeyASROWSDBEYHHNH-UHFFFAOYSA-N
MW190.16 g/mol
LogP1.38
Rot. Bonds

About 5,11-dimethyl-4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene

5,11-dimethyl-4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene (PubChem CID 130352001) has the molecular formula C8H6N4O2 and a molecular weight of 190.16 g/mol. Its IUPAC name is 5,11-dimethyl-4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene.

Molecular Properties

Compound Name5,11-dimethyl-4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene
PubChem CID130352001
Molecular FormulaC8H6N4O2
Molecular Weight190.16 g/mol
Exact Mass190.05
IUPAC Name5,11-dimethyl-4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene
SMILESCc1nc2nc3oc(C)nc3nc2o1
InChIInChI=1S/C8H6N4O2/c1-3-9-5-7(13-3)12-6-8(11-5)14-4(2)10-6/h1-2H3
InChIKeyASROWSDBEYHHNH-UHFFFAOYSA-N
XLogP1.38
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,11-dimethyl-4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene with MolForge

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Related Compounds

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CID 143085645
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5,11-di(propan-2-yl)-4,12-dioxa-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
CID 70800007
2-methyl-[1,3]oxazolo[4,5-b]pyridine-6-carbaldehyde
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7-chloro-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine
CID 117273792
2-methyl-5,6-di(propan-2-yl)furo[2,3-d][1,3]oxazole
CID 90310343
azane;platinum(2+);2,4,5-trimethyl-1,3-oxazole;dichloride
CID 10222212
2,4-dimethyl-1,3-oxazole-5-thiol;ethane
CID 144716045
2-methyl-[1,3]oxazolo[5,4-c]isoquinoline
CID 11217636
2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridine
CID 134301977
2-methyl-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile
CID 130048004
2,5-dimethyl-4-propan-2-yl-1,3-oxazole
CID 13111486

Frequently Asked Questions

What is the IUPAC name of 5,11-dimethyl-4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene?
The IUPAC name of 5,11-dimethyl-4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene (CID 130352001) is 5,11-dimethyl-4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene.
What is the SMILES notation for 5,11-dimethyl-4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene?
The canonical SMILES for 5,11-dimethyl-4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene is Cc1nc2nc3oc(C)nc3nc2o1.
What is the InChIKey of 5,11-dimethyl-4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene?
The InChIKey is ASROWSDBEYHHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2/c1-3-9-5-7(13-3)12-6-8(11-5)14-4(2)10-6/h1-2H3.
What are the key properties of 5,11-dimethyl-4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene?
5,11-dimethyl-4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene has a molecular weight of 190.16 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dimethyl-4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene is sourced from PubChem (CID 130352001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).