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

C7H7FN2 — CID 143654551

IUPAC3-fluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCn1[nH]c2cc(F)ccc21
InChIInChI=1S/C7H7FN2/c1-10-7-3-2-5(8)4-6(7)9-10/h2-4,9H,1H3
InChIKeyNUWIAJRYJYTOPE-UHFFFAOYSA-N
MW138.14 g/mol
LogP1.65
Rot. Bonds

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

3-fluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 143654551) has the molecular formula C7H7FN2 and a molecular weight of 138.14 g/mol. Its IUPAC name is 3-fluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name3-fluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID143654551
Molecular FormulaC7H7FN2
Molecular Weight138.14 g/mol
Exact Mass138.06
IUPAC Name3-fluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCn1[nH]c2cc(F)ccc21
InChIInChI=1S/C7H7FN2/c1-10-7-3-2-5(8)4-6(7)9-10/h2-4,9H,1H3
InChIKeyNUWIAJRYJYTOPE-UHFFFAOYSA-N
XLogP1.65
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.14
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 3-fluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene (CID 143654551) is 3-fluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 3-fluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 3-fluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene is Cn1[nH]c2cc(F)ccc21.
What is the InChIKey of 3-fluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is NUWIAJRYJYTOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2/c1-10-7-3-2-5(8)4-6(7)9-10/h2-4,9H,1H3.
What are the key properties of 3-fluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene?
3-fluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 138.14 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 143654551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).