N-(2-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine

C21H14FN5 — CID 86304604

IUPACN-(2-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESFc1ccccc1Nc1nn2c(-c3ccccc3)nnc2c2ccccc12
InChIInChI=1S/C21H14FN5/c22-17-12-6-7-13-18(17)23-19-15-10-4-5-11-16(15)21-25-24-20(27(21)26-19)14-8-2-1-3-9-14/h1-13H,(H,23,26)
InChIKeyYRGWIFDDPRVQIK-UHFFFAOYSA-N
MW355.38 g/mol
LogP4.83
Rot. Bonds3

About N-(2-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine

N-(2-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (PubChem CID 86304604) has the molecular formula C21H14FN5 and a molecular weight of 355.38 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
PubChem CID86304604
Molecular FormulaC21H14FN5
Molecular Weight355.38 g/mol
Exact Mass355.12
IUPAC NameN-(2-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESFc1ccccc1Nc1nn2c(-c3ccccc3)nnc2c2ccccc12
InChIInChI=1S/C21H14FN5/c22-17-12-6-7-13-18(17)23-19-15-10-4-5-11-16(15)21-25-24-20(27(21)26-19)14-8-2-1-3-9-14/h1-13H,(H,23,26)
InChIKeyYRGWIFDDPRVQIK-UHFFFAOYSA-N
XLogP4.83
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[3-(4-bromophenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]benzene-1,4-diamine
CID 66703832
cyclopropane;[4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]phenyl]carbamic acid
CID 67549528
3-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 139616221
3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 139616217
3-[[3-(4-bromophenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]benzamide
CID 67548968
4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]-N-phenylbenzamide
CID 67549849
N-[3-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 11683462
5,8-diphenyl-3,4,6,7,9,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,8,10,12,14-heptaene
CID 71482704
6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[3,4-a]phthalazine
CID 86236091
3-(4-methoxyphenyl)-N-[4-(2-methyltetrazol-5-yl)phenyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 11496094
4-N-[3-[2-(dimethylamino)phenyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]benzene-1,4-diamine
CID 66703874
N-[3-[[3-(2-fluorophenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]phenyl]cyclopropanecarboxamide
CID 91301462

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The IUPAC name of N-(2-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (CID 86304604) is N-(2-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.
What is the SMILES notation for N-(2-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The canonical SMILES for N-(2-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is Fc1ccccc1Nc1nn2c(-c3ccccc3)nnc2c2ccccc12.
What is the InChIKey of N-(2-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The InChIKey is YRGWIFDDPRVQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN5/c22-17-12-6-7-13-18(17)23-19-15-10-4-5-11-16(15)21-25-24-20(27(21)26-19)14-8-2-1-3-9-14/h1-13H,(H,23,26).
What are the key properties of N-(2-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
N-(2-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine has a molecular weight of 355.38 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is sourced from PubChem (CID 86304604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).