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

C18H17F2N5 — CID 112964736

IUPAC5-N-(2,4-difluorophenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCC(C)c1ccccc1Nc1nncc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C18H17F2N5/c1-11(2)13-5-3-4-6-15(13)23-18-24-17(10-21-25-18)22-16-8-7-12(19)9-14(16)20/h3-11H,1-2H3,(H2,22,23,24,25)
InChIKeyQVVNFDNVNPGLFV-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.76
Rot. Bonds5

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

5-N-(2,4-difluorophenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112964736) has the molecular formula C18H17F2N5 and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-N-(2,4-difluorophenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,4-difluorophenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112964736
Molecular FormulaC18H17F2N5
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name5-N-(2,4-difluorophenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCC(C)c1ccccc1Nc1nncc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C18H17F2N5/c1-11(2)13-5-3-4-6-15(13)23-18-24-17(10-21-25-18)22-16-8-7-12(19)9-14(16)20/h3-11H,1-2H3,(H2,22,23,24,25)
InChIKeyQVVNFDNVNPGLFV-UHFFFAOYSA-N
XLogP4.76
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N,5-N-bis(2,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969398
5-N-(4-chloro-2-methylphenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964692
5-N-(2-methylphenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961753
5-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112949181
3-N-(5-chloro-2-methylphenyl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964619
5-N-(3-chloro-2-methylphenyl)-3-N-(2,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966183
methyl 2-[[3-(2,4-difluoroanilino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112968619
5-N-propan-2-yl-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112938796
3-N-(4-chlorophenyl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964617
5-N-(2,4-difluorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112969359
3-N-(5-chloro-2-methoxyphenyl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964624
3-N-(3,4-dichlorophenyl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964667

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,4-difluorophenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(2,4-difluorophenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine (CID 112964736) is 5-N-(2,4-difluorophenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(2,4-difluorophenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(2,4-difluorophenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine is CC(C)c1ccccc1Nc1nncc(Nc2ccc(F)cc2F)n1.
What is the InChIKey of 5-N-(2,4-difluorophenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is QVVNFDNVNPGLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5/c1-11(2)13-5-3-4-6-15(13)23-18-24-17(10-21-25-18)22-16-8-7-12(19)9-14(16)20/h3-11H,1-2H3,(H2,22,23,24,25).
What are the key properties of 5-N-(2,4-difluorophenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine?
5-N-(2,4-difluorophenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 341.37 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,4-difluorophenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112964736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).