3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine

C16H11FN4 — CID 139616217

IUPAC3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1nn2c(-c3cccc(F)c3)nnc2c2ccccc12
InChIInChI=1S/C16H11FN4/c1-10-13-7-2-3-8-14(13)16-19-18-15(21(16)20-10)11-5-4-6-12(17)9-11/h2-9H,1H3
InChIKeyGKRYDWBBAFBRCQ-UHFFFAOYSA-N
MW278.29 g/mol
LogP3.39
Rot. Bonds1

About 3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine

3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 139616217) has the molecular formula C16H11FN4 and a molecular weight of 278.29 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID139616217
Molecular FormulaC16H11FN4
Molecular Weight278.29 g/mol
Exact Mass278.10
IUPAC Name3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1nn2c(-c3cccc(F)c3)nnc2c2ccccc12
InChIInChI=1S/C16H11FN4/c1-10-13-7-2-3-8-14(13)16-19-18-15(21(16)20-10)11-5-4-6-12(17)9-11/h2-9H,1H3
InChIKeyGKRYDWBBAFBRCQ-UHFFFAOYSA-N
XLogP3.39
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 139616221
2-methoxy-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)aniline
CID 82167264
3,6-dimethyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 13185783
6-chloro-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
CID 110171513
2-chloro-N-[2-methyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]benzamide
CID 2012517
N-(2-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 86304604
N-[2-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide
CID 4910545
5-(3-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 83882734
2-methoxy-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 1290640
3-(3-fluorophenyl)-6-(2-phenylethenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71966491
3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde
CID 83966105
N-(1-hydroxybutan-2-yl)-2-methoxy-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
CID 3156593

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine (CID 139616217) is 3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine is Cc1nn2c(-c3cccc(F)c3)nnc2c2ccccc12.
What is the InChIKey of 3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is GKRYDWBBAFBRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4/c1-10-13-7-2-3-8-14(13)16-19-18-15(21(16)20-10)11-5-4-6-12(17)9-11/h2-9H,1H3.
What are the key properties of 3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 278.29 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 139616217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).