6-methyl-2,5,8,10-tetrazabicyclo[5.3.0]deca-1(7),2,3,5,9-pentaene

C7H6N4 — CID 176540559

IUPAC6-methyl-2,5,8,10-tetrazabicyclo[5.3.0]deca-1(7),2,3,5,9-pentaene
SMILESCC1=NC=C=Nc2nc[nH]c21
InChIInChI=1S/C7H6N4/c1-5-6-7(11-4-10-6)9-3-2-8-5/h2,4H,1H3,(H,10,11)
InChIKeyXUXAAZSWSYVKLX-UHFFFAOYSA-N
MW146.15 g/mol
LogP1.05
Rot. Bonds

About 6-methyl-2,5,8,10-tetrazabicyclo[5.3.0]deca-1(7),2,3,5,9-pentaene

6-methyl-2,5,8,10-tetrazabicyclo[5.3.0]deca-1(7),2,3,5,9-pentaene (PubChem CID 176540559) has the molecular formula C7H6N4 and a molecular weight of 146.15 g/mol. Its IUPAC name is 6-methyl-2,5,8,10-tetrazabicyclo[5.3.0]deca-1(7),2,3,5,9-pentaene.

Molecular Properties

Compound Name6-methyl-2,5,8,10-tetrazabicyclo[5.3.0]deca-1(7),2,3,5,9-pentaene
PubChem CID176540559
Molecular FormulaC7H6N4
Molecular Weight146.15 g/mol
Exact Mass146.06
IUPAC Name6-methyl-2,5,8,10-tetrazabicyclo[5.3.0]deca-1(7),2,3,5,9-pentaene
SMILESCC1=NC=C=Nc2nc[nH]c21
InChIInChI=1S/C7H6N4/c1-5-6-7(11-4-10-6)9-3-2-8-5/h2,4H,1H3,(H,10,11)
InChIKeyXUXAAZSWSYVKLX-UHFFFAOYSA-N
XLogP1.05
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-2,5,8,10-tetrazabicyclo[5.3.0]deca-1(7),2,3,5,9-pentaene with MolForge

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Related Compounds

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5-methyl-6-(2-methylphenyl)-1H-pyrimidine-4-thione
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CID 82469801
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6-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106521056
4,5-bis(2,6-dimethylphenyl)-1H-imidazole
CID 133083564
6-methyl-3,7-dihydropurin-1-ium
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5-ethyl-6-(4-methylphenyl)-1H-pyrimidine-4-thione
CID 106513870
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,5,8,10-tetrazabicyclo[5.3.0]deca-1(7),2,3,5,9-pentaene?
The IUPAC name of 6-methyl-2,5,8,10-tetrazabicyclo[5.3.0]deca-1(7),2,3,5,9-pentaene (CID 176540559) is 6-methyl-2,5,8,10-tetrazabicyclo[5.3.0]deca-1(7),2,3,5,9-pentaene.
What is the SMILES notation for 6-methyl-2,5,8,10-tetrazabicyclo[5.3.0]deca-1(7),2,3,5,9-pentaene?
The canonical SMILES for 6-methyl-2,5,8,10-tetrazabicyclo[5.3.0]deca-1(7),2,3,5,9-pentaene is CC1=NC=C=Nc2nc[nH]c21.
What is the InChIKey of 6-methyl-2,5,8,10-tetrazabicyclo[5.3.0]deca-1(7),2,3,5,9-pentaene?
The InChIKey is XUXAAZSWSYVKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4/c1-5-6-7(11-4-10-6)9-3-2-8-5/h2,4H,1H3,(H,10,11).
What are the key properties of 6-methyl-2,5,8,10-tetrazabicyclo[5.3.0]deca-1(7),2,3,5,9-pentaene?
6-methyl-2,5,8,10-tetrazabicyclo[5.3.0]deca-1(7),2,3,5,9-pentaene has a molecular weight of 146.15 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,5,8,10-tetrazabicyclo[5.3.0]deca-1(7),2,3,5,9-pentaene is sourced from PubChem (CID 176540559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).