3-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene

C7H8N2 — CID 143364643

IUPAC3-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCc1ccc2[nH][nH]c2c1
InChIInChI=1S/C7H8N2/c1-5-2-3-6-7(4-5)9-8-6/h2-4,8-9H,1H3
InChIKeyOHYLDPWFCBQUGR-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.80
Rot. Bonds

About 3-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene

3-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 143364643) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 3-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name3-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID143364643
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name3-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCc1ccc2[nH][nH]c2c1
InChIInChI=1S/C7H8N2/c1-5-2-3-6-7(4-5)9-8-6/h2-4,8-9H,1H3
InChIKeyOHYLDPWFCBQUGR-UHFFFAOYSA-N
XLogP1.80
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

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3,5-dimethyl-1H-indole
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2,7-dimethyl-10H-acridin-9-one
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2,3,5-trimethyl-1H-indole;vanadium
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6-methyl-1H-benzimidazol-3-ium
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2-fluoro-6-methyl-1H-indole
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6-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 3-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene (CID 143364643) is 3-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 3-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 3-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene is Cc1ccc2[nH][nH]c2c1.
What is the InChIKey of 3-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is OHYLDPWFCBQUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-5-2-3-6-7(4-5)9-8-6/h2-4,8-9H,1H3.
What are the key properties of 3-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene?
3-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 120.15 g/mol, XLogP of 1.80, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 143364643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).