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

C11H11FN4 — CID 70979775

IUPAC10-fluoro-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
SMILESCc1nnc2n1-c1c(F)cccc1NCC2
InChIInChI=1S/C11H11FN4/c1-7-14-15-10-5-6-13-9-4-2-3-8(12)11(9)16(7)10/h2-4,13H,5-6H2,1H3
InChIKeyPHAXDRTWZIGVGD-UHFFFAOYSA-N
MW218.24 g/mol
LogP1.68
Rot. Bonds

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

10-fluoro-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine (PubChem CID 70979775) has the molecular formula C11H11FN4 and a molecular weight of 218.24 g/mol. Its IUPAC name is 10-fluoro-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine.

Molecular Properties

Compound Name10-fluoro-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
PubChem CID70979775
Molecular FormulaC11H11FN4
Molecular Weight218.24 g/mol
Exact Mass218.10
IUPAC Name10-fluoro-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
SMILESCc1nnc2n1-c1c(F)cccc1NCC2
InChIInChI=1S/C11H11FN4/c1-7-14-15-10-5-6-13-9-4-2-3-8(12)11(9)16(7)10/h2-4,13H,5-6H2,1H3
InChIKeyPHAXDRTWZIGVGD-UHFFFAOYSA-N
XLogP1.68
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-fluoro-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine?
The IUPAC name of 10-fluoro-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine (CID 70979775) is 10-fluoro-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine.
What is the SMILES notation for 10-fluoro-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine?
The canonical SMILES for 10-fluoro-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine is Cc1nnc2n1-c1c(F)cccc1NCC2.
What is the InChIKey of 10-fluoro-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine?
The InChIKey is PHAXDRTWZIGVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4/c1-7-14-15-10-5-6-13-9-4-2-3-8(12)11(9)16(7)10/h2-4,13H,5-6H2,1H3.
What are the key properties of 10-fluoro-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine?
10-fluoro-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine has a molecular weight of 218.24 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine is sourced from PubChem (CID 70979775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).