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

C16H11FN4 — CID 139616221

IUPAC3-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1nn2c(-c3ccccc3F)nnc2c2ccccc12
InChIInChI=1S/C16H11FN4/c1-10-11-6-2-3-7-12(11)15-18-19-16(21(15)20-10)13-8-4-5-9-14(13)17/h2-9H,1H3
InChIKeyHPKAECISVDUUPN-UHFFFAOYSA-N
MW278.29 g/mol
LogP3.39
Rot. Bonds1

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

3-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 139616221) has the molecular formula C16H11FN4 and a molecular weight of 278.29 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID139616221
Molecular FormulaC16H11FN4
Molecular Weight278.29 g/mol
Exact Mass278.10
IUPAC Name3-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1nn2c(-c3ccccc3F)nnc2c2ccccc12
InChIInChI=1S/C16H11FN4/c1-10-11-6-2-3-7-12(11)15-18-19-16(21(15)20-10)13-8-4-5-9-14(13)17/h2-9H,1H3
InChIKeyHPKAECISVDUUPN-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

6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[3,4-a]phthalazine
CID 86236091
N-[2-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide
CID 4910545
3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 139616217
3,6-dimethyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 13185783
6-benzyl-3-(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-a]phthalazine
CID 42570551
6-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
CID 86236093
N-[3-[[3-(2-fluorophenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]phenyl]cyclopropanecarboxamide
CID 91301462
2-methoxy-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)aniline
CID 82167264
N-(2-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 86304604
6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 43144392
[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]hydrazine
CID 35754935
4-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)butanoic acid
CID 82167258

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 3-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine (CID 139616221) is 3-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 3-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 3-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine is Cc1nn2c(-c3ccccc3F)nnc2c2ccccc12.
What is the InChIKey of 3-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is HPKAECISVDUUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4/c1-10-11-6-2-3-7-12(11)15-18-19-16(21(15)20-10)13-8-4-5-9-14(13)17/h2-9H,1H3.
What are the key properties of 3-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
3-(2-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-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 139616221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).