10-fluoro-6-methyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine

C11H11FN4 — CID 123337092

IUPAC10-fluoro-6-methyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine
SMILESCN1CCc2nncn2-c2c(F)cccc21
InChIInChI=1S/C11H11FN4/c1-15-6-5-10-14-13-7-16(10)11-8(12)3-2-4-9(11)15/h2-4,7H,5-6H2,1H3
InChIKeyCNCAASWGPBPQFV-UHFFFAOYSA-N
MW218.24 g/mol
LogP1.40
Rot. Bonds

About 10-fluoro-6-methyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine

10-fluoro-6-methyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine (PubChem CID 123337092) has the molecular formula C11H11FN4 and a molecular weight of 218.24 g/mol. Its IUPAC name is 10-fluoro-6-methyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine.

Molecular Properties

Compound Name10-fluoro-6-methyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine
PubChem CID123337092
Molecular FormulaC11H11FN4
Molecular Weight218.24 g/mol
Exact Mass218.10
IUPAC Name10-fluoro-6-methyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine
SMILESCN1CCc2nncn2-c2c(F)cccc21
InChIInChI=1S/C11H11FN4/c1-15-6-5-10-14-13-7-16(10)11-8(12)3-2-4-9(11)15/h2-4,7H,5-6H2,1H3
InChIKeyCNCAASWGPBPQFV-UHFFFAOYSA-N
XLogP1.40
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-fluoro-6-methyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine?
The IUPAC name of 10-fluoro-6-methyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine (CID 123337092) is 10-fluoro-6-methyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine.
What is the SMILES notation for 10-fluoro-6-methyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine?
The canonical SMILES for 10-fluoro-6-methyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine is CN1CCc2nncn2-c2c(F)cccc21.
What is the InChIKey of 10-fluoro-6-methyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine?
The InChIKey is CNCAASWGPBPQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4/c1-15-6-5-10-14-13-7-16(10)11-8(12)3-2-4-9(11)15/h2-4,7H,5-6H2,1H3.
What are the key properties of 10-fluoro-6-methyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine?
10-fluoro-6-methyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine has a molecular weight of 218.24 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-6-methyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine is sourced from PubChem (CID 123337092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).