3-N-(3-chlorophenyl)-5-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine

C15H10ClF2N5 — CID 112965993

IUPAC3-N-(3-chlorophenyl)-5-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESFc1ccc(Nc2cnnc(Nc3cccc(Cl)c3)n2)cc1F
InChIInChI=1S/C15H10ClF2N5/c16-9-2-1-3-10(6-9)21-15-22-14(8-19-23-15)20-11-4-5-12(17)13(18)7-11/h1-8H,(H2,20,21,22,23)
InChIKeyBNLFFCMYCXFUCI-UHFFFAOYSA-N
MW333.73 g/mol
LogP4.29
Rot. Bonds4

About 3-N-(3-chlorophenyl)-5-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine

3-N-(3-chlorophenyl)-5-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112965993) has the molecular formula C15H10ClF2N5 and a molecular weight of 333.73 g/mol. Its IUPAC name is 3-N-(3-chlorophenyl)-5-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(3-chlorophenyl)-5-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112965993
Molecular FormulaC15H10ClF2N5
Molecular Weight333.73 g/mol
Exact Mass333.06
IUPAC Name3-N-(3-chlorophenyl)-5-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESFc1ccc(Nc2cnnc(Nc3cccc(Cl)c3)n2)cc1F
InChIInChI=1S/C15H10ClF2N5/c16-9-2-1-3-10(6-9)21-15-22-14(8-19-23-15)20-11-4-5-12(17)13(18)7-11/h1-8H,(H2,20,21,22,23)
InChIKeyBNLFFCMYCXFUCI-UHFFFAOYSA-N
XLogP4.29
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.73
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(3-chloro-4-fluorophenyl)-5-N-(3-chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965852
5-N-(3-bromophenyl)-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969169
5-N-(3-chlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965455
5-N-(3,4-difluorophenyl)-3-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112968245
N-[3-[[5-(3,4-difluoroanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112968543
3-N-(3-chlorophenyl)-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963487
5-N-(3-chlorophenyl)-3-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965905
N-[4-[[3-(3-chloroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112965949
3-N-(3,4-difluorophenyl)-5-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963384
5-N-(3,4-difluorophenyl)-3-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112969056
3-N-(3-chloro-4-methoxyphenyl)-5-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966884
3-N-(3-chlorophenyl)-5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazine-3,5-diamine
CID 112965970

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-chlorophenyl)-5-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(3-chlorophenyl)-5-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine (CID 112965993) is 3-N-(3-chlorophenyl)-5-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(3-chlorophenyl)-5-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(3-chlorophenyl)-5-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine is Fc1ccc(Nc2cnnc(Nc3cccc(Cl)c3)n2)cc1F.
What is the InChIKey of 3-N-(3-chlorophenyl)-5-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is BNLFFCMYCXFUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N5/c16-9-2-1-3-10(6-9)21-15-22-14(8-19-23-15)20-11-4-5-12(17)13(18)7-11/h1-8H,(H2,20,21,22,23).
What are the key properties of 3-N-(3-chlorophenyl)-5-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine?
3-N-(3-chlorophenyl)-5-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 333.73 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-chlorophenyl)-5-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112965993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).