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

C9H12N2 — CID 121427233

IUPAC3-ethyl-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCCc1ccc2c(c1)[nH]n2C
InChIInChI=1S/C9H12N2/c1-3-7-4-5-9-8(6-7)10-11(9)2/h4-6,10H,3H2,1-2H3
InChIKeyOYCYTSNTGAITES-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.07
Rot. Bonds1

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

3-ethyl-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 121427233) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 3-ethyl-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name3-ethyl-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID121427233
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name3-ethyl-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCCc1ccc2c(c1)[nH]n2C
InChIInChI=1S/C9H12N2/c1-3-7-4-5-9-8(6-7)10-11(9)2/h4-6,10H,3H2,1-2H3
InChIKeyOYCYTSNTGAITES-UHFFFAOYSA-N
XLogP2.07
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[5-(Difluoromethyl)-4-fluoro-3-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-7-yl]-2-methylpropan-2-ol
CID 129180471
1-(4-Fluoro-3,5-dimethyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-7-yl)-2-methylpropan-2-ol
CID 129180711
1-(3-Ethenyl-4-fluoro-5-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-7-yl)-2-methylpropan-2-ol
CID 129180719
1-[(4,5-Difluoro-3-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-7-yl)methyl]cyclobutan-1-ol
CID 129180721
1-[5-[(Z)-2-(ethylamino)prop-1-enyl]-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-trien-3-yl]-N-(trifluoromethyl)hexan-3-amine
CID 134177921
(Z)-3-ethenyl-6-fluoro-6-methyl-N-[1-[2-(7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl)cyclopropyl]ethenyl]hept-2-en-1-amine
CID 146537363
2-(4-Ethyl-2-fluorophenyl)-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene
CID 156796568
N-[2-[2-ethyl-3-[3-(hept-6-enylamino)prop-1-en-2-yl]-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-7-yl]cyclohexyl]-4,4-difluorocyclohexan-1-amine
CID 170072864
3-Fluoro-8-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
CID 143111931
3-Fluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
CID 143654551
2,4-Difluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
CID 144572087
4-Fluoro-7-methyl-3-propan-2-yl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
CID 144572089

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 3-ethyl-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene (CID 121427233) is 3-ethyl-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 3-ethyl-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 3-ethyl-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene is CCc1ccc2c(c1)[nH]n2C.
What is the InChIKey of 3-ethyl-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is OYCYTSNTGAITES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-7-4-5-9-8(6-7)10-11(9)2/h4-6,10H,3H2,1-2H3.
What are the key properties of 3-ethyl-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene?
3-ethyl-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 148.21 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 121427233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).