4-(8-fluoro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)morpholine

C14H14FN5O — CID 20565816

IUPAC4-(8-fluoro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)morpholine
SMILESFc1ccc2c(c1)C(N1CCOCC1)=NCc1nncn1-2
InChIInChI=1S/C14H14FN5O/c15-10-1-2-12-11(7-10)14(19-3-5-21-6-4-19)16-8-13-18-17-9-20(12)13/h1-2,7,9H,3-6,8H2
InChIKeyPMDUCWWXZFKGRC-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.00
Rot. Bonds

About 4-(8-fluoro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)morpholine

4-(8-fluoro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)morpholine (PubChem CID 20565816) has the molecular formula C14H14FN5O and a molecular weight of 287.30 g/mol. Its IUPAC name is 4-(8-fluoro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)morpholine.

Molecular Properties

Compound Name4-(8-fluoro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)morpholine
PubChem CID20565816
Molecular FormulaC14H14FN5O
Molecular Weight287.30 g/mol
Exact Mass287.12
IUPAC Name4-(8-fluoro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)morpholine
SMILESFc1ccc2c(c1)C(N1CCOCC1)=NCc1nncn1-2
InChIInChI=1S/C14H14FN5O/c15-10-1-2-12-11(7-10)14(19-3-5-21-6-4-19)16-8-13-18-17-9-20(12)13/h1-2,7,9H,3-6,8H2
InChIKeyPMDUCWWXZFKGRC-UHFFFAOYSA-N
XLogP1.00
TPSA55.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-fluoro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 21487196
4-(8-bromo-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)morpholine
CID 20565882
10-(2,6-difluorophenyl)-13-fluoro-2,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,9,12,14-hexaene
CID 21494759
3-(5-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117470364
2-(5-fluoro-2-morpholin-4-ylphenyl)ethanamine
CID 63784729
2-(5-fluoro-2-morpholin-4-ylphenyl)propan-2-ol
CID 117350892
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
3-(4-fluoro-2-morpholin-4-ylphenyl)-1,2-oxazol-5-amine
CID 115112379
2-amino-1-(4-fluoro-2-morpholin-4-ylphenyl)ethanol
CID 117115347
1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]cyclopropan-1-amine
CID 117379377
4-[4-(4-fluoro-2-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 58507943
(1R)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanamine
CID 78996701

Frequently Asked Questions

What is the IUPAC name of 4-(8-fluoro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)morpholine?
The IUPAC name of 4-(8-fluoro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)morpholine (CID 20565816) is 4-(8-fluoro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)morpholine.
What is the SMILES notation for 4-(8-fluoro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)morpholine?
The canonical SMILES for 4-(8-fluoro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)morpholine is Fc1ccc2c(c1)C(N1CCOCC1)=NCc1nncn1-2.
What is the InChIKey of 4-(8-fluoro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)morpholine?
The InChIKey is PMDUCWWXZFKGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O/c15-10-1-2-12-11(7-10)14(19-3-5-21-6-4-19)16-8-13-18-17-9-20(12)13/h1-2,7,9H,3-6,8H2.
What are the key properties of 4-(8-fluoro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)morpholine?
4-(8-fluoro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)morpholine has a molecular weight of 287.30 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-fluoro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)morpholine is sourced from PubChem (CID 20565816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).