10-methyl-4-oxa-1,5,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene

C8H10N4O — CID 145331063

IUPAC10-methyl-4-oxa-1,5,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene
SMILESCN1CCn2c(nc3nocc32)C1
InChIInChI=1S/C8H10N4O/c1-11-2-3-12-6-5-13-10-8(6)9-7(12)4-11/h5H,2-4H2,1H3
InChIKeyGLEIIWIIZZDOEC-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.47
Rot. Bonds

About 10-methyl-4-oxa-1,5,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene

10-methyl-4-oxa-1,5,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene (PubChem CID 145331063) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 10-methyl-4-oxa-1,5,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene.

Molecular Properties

Compound Name10-methyl-4-oxa-1,5,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene
PubChem CID145331063
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name10-methyl-4-oxa-1,5,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene
SMILESCN1CCn2c(nc3nocc32)C1
InChIInChI=1S/C8H10N4O/c1-11-2-3-12-6-5-13-10-8(6)9-7(12)4-11/h5H,2-4H2,1H3
InChIKeyGLEIIWIIZZDOEC-UHFFFAOYSA-N
XLogP0.47
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-methyl-4-oxa-1,5,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene with MolForge

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Related Compounds

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2-ethyl-7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
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2-ethyl-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
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butane;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 144770368
3-(6-fluoro-3,4-dihydropyridin-3-yl)-7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
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Frequently Asked Questions

What is the IUPAC name of 10-methyl-4-oxa-1,5,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene?
The IUPAC name of 10-methyl-4-oxa-1,5,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene (CID 145331063) is 10-methyl-4-oxa-1,5,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene.
What is the SMILES notation for 10-methyl-4-oxa-1,5,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene?
The canonical SMILES for 10-methyl-4-oxa-1,5,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene is CN1CCn2c(nc3nocc32)C1.
What is the InChIKey of 10-methyl-4-oxa-1,5,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene?
The InChIKey is GLEIIWIIZZDOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-11-2-3-12-6-5-13-10-8(6)9-7(12)4-11/h5H,2-4H2,1H3.
What are the key properties of 10-methyl-4-oxa-1,5,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene?
10-methyl-4-oxa-1,5,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene has a molecular weight of 178.19 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-4-oxa-1,5,7,10-tetrazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene is sourced from PubChem (CID 145331063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).