6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(3-methylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-phenyl-6-quinazolin-6-yl-1,2,4-triazin-3-amine

C54H38ClFN16 — CID 158946430

IUPAC6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(3-methylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-phenyl-6-quinazolin-6-yl-1,2,4-triazin-3-amine
SMILESCc1cnc2ccc(-c3nnc(N)nc3-c3ccccc3)cc2c1.Nc1nnc(-c2ccc3nccc(Cl)c3c2)c(-c2ccc(F)cc2)n1.Nc1nnc(-c2ccc3ncncc3c2)c(-c2ccccc2)n1
InChIInChI=1S/C19H15N5.C18H11ClFN5.C17H12N6/c1-12-9-15-10-14(7-8-16(15)21-11-12)18-17(22-19(20)24-23-18)13-5-3-2-4-6-13;19-14-7-8-22-15-6-3-11(9-13(14)15)17-16(23-18(21)25-24-17)10-1-4-12(20)5-2-10;18-17-21-15(11-4-2-1-3-5-11)16(22-23-17)12-6-7-14-13(8-12)9-19-10-20-14/h2-11H,1H3,(H2,20,22,24);1-9H,(H2,21,23,25);1-10H,(H2,18,21,23)
InChIKeyJKWODQOFZKCZPN-UHFFFAOYSA-N
MW965.46 g/mol
LogP10.50
Rot. Bonds6

About 6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(3-methylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-phenyl-6-quinazolin-6-yl-1,2,4-triazin-3-amine

6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(3-methylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-phenyl-6-quinazolin-6-yl-1,2,4-triazin-3-amine (PubChem CID 158946430) has the molecular formula C54H38ClFN16 and a molecular weight of 965.46 g/mol. Its IUPAC name is 6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(3-methylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-phenyl-6-quinazolin-6-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(3-methylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-phenyl-6-quinazolin-6-yl-1,2,4-triazin-3-amine
PubChem CID158946430
Molecular FormulaC54H38ClFN16
Molecular Weight965.46 g/mol
Exact Mass964.31
IUPAC Name6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(3-methylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-phenyl-6-quinazolin-6-yl-1,2,4-triazin-3-amine
SMILESCc1cnc2ccc(-c3nnc(N)nc3-c3ccccc3)cc2c1.Nc1nnc(-c2ccc3nccc(Cl)c3c2)c(-c2ccc(F)cc2)n1.Nc1nnc(-c2ccc3ncncc3c2)c(-c2ccccc2)n1
InChIInChI=1S/C19H15N5.C18H11ClFN5.C17H12N6/c1-12-9-15-10-14(7-8-16(15)21-11-12)18-17(22-19(20)24-23-18)13-5-3-2-4-6-13;19-14-7-8-22-15-6-3-11(9-13(14)15)17-16(23-18(21)25-24-17)10-1-4-12(20)5-2-10;18-17-21-15(11-4-2-1-3-5-11)16(22-23-17)12-6-7-14-13(8-12)9-19-10-20-14/h2-11H,1H3,(H2,20,22,24);1-9H,(H2,21,23,25);1-10H,(H2,18,21,23)
InChIKeyJKWODQOFZKCZPN-UHFFFAOYSA-N
XLogP10.50
TPSA245.63 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500965.46
LogP ≤ 510.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(3-methylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-phenyl-6-quinazolin-6-yl-1,2,4-triazin-3-amine with MolForge

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Related Compounds

7-(2,6-dichlorophenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine
CID 11523787
N-(2-chloro-4-pyridinyl)-7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine
CID 59837741
N-(6-chloro-3-pyridinyl)-7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine
CID 59837802
1-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-4-phenylimidazol-2-amine
CID 118716239
2-Chloro-6-(difluoro(6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl)quinoline
CID 145995055
4-Chloro-6-(difluoro(6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl)quinoline
CID 145995056
2-(5-Chloro-2-fluorophenyl)-4-[5-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-3-pyridinyl]-1,8-naphthyridine
CID 53346054
N-(2-chlorophenyl)-3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;3-(quinolin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 67110968
5-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine;6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 87964595
6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-pyridin-3-ylquinazolin-4-amine
CID 90095062
6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(6-methyl-3-pyridinyl)quinazolin-4-amine
CID 90095292
6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine
CID 118437788

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(3-methylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-phenyl-6-quinazolin-6-yl-1,2,4-triazin-3-amine?
The IUPAC name of 6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(3-methylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-phenyl-6-quinazolin-6-yl-1,2,4-triazin-3-amine (CID 158946430) is 6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(3-methylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-phenyl-6-quinazolin-6-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(3-methylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-phenyl-6-quinazolin-6-yl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(3-methylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-phenyl-6-quinazolin-6-yl-1,2,4-triazin-3-amine is Cc1cnc2ccc(-c3nnc(N)nc3-c3ccccc3)cc2c1.Nc1nnc(-c2ccc3nccc(Cl)c3c2)c(-c2ccc(F)cc2)n1.Nc1nnc(-c2ccc3ncncc3c2)c(-c2ccccc2)n1.
What is the InChIKey of 6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(3-methylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-phenyl-6-quinazolin-6-yl-1,2,4-triazin-3-amine?
The InChIKey is JKWODQOFZKCZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5.C18H11ClFN5.C17H12N6/c1-12-9-15-10-14(7-8-16(15)21-11-12)18-17(22-19(20)24-23-18)13-5-3-2-4-6-13;19-14-7-8-22-15-6-3-11(9-13(14)15)17-16(23-18(21)25-24-17)10-1-4-12(20)5-2-10;18-17-21-15(11-4-2-1-3-5-11)16(22-23-17)12-6-7-14-13(8-12)9-19-10-20-14/h2-11H,1H3,(H2,20,22,24);1-9H,(H2,21,23,25);1-10H,(H2,18,21,23).
What are the key properties of 6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(3-methylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-phenyl-6-quinazolin-6-yl-1,2,4-triazin-3-amine?
6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(3-methylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-phenyl-6-quinazolin-6-yl-1,2,4-triazin-3-amine has a molecular weight of 965.46 g/mol, XLogP of 10.50, 6 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(3-methylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-phenyl-6-quinazolin-6-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 158946430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).