5-N-benzyl-3-N-(2,6-difluorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine

C19H19F2N5 — CID 112959457

IUPAC5-N-benzyl-3-N-(2,6-difluorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
SMILESCC(C)N(Cc1ccccc1)c1cnnc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C19H19F2N5/c1-13(2)26(12-14-7-4-3-5-8-14)17-11-22-25-19(23-17)24-18-15(20)9-6-10-16(18)21/h3-11,13H,12H2,1-2H3,(H,23,24,25)
InChIKeyFKUKWCKQKOTWKS-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.31
Rot. Bonds6

About 5-N-benzyl-3-N-(2,6-difluorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine

5-N-benzyl-3-N-(2,6-difluorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine (PubChem CID 112959457) has the molecular formula C19H19F2N5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 5-N-benzyl-3-N-(2,6-difluorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-benzyl-3-N-(2,6-difluorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
PubChem CID112959457
Molecular FormulaC19H19F2N5
Molecular Weight355.39 g/mol
Exact Mass355.16
IUPAC Name5-N-benzyl-3-N-(2,6-difluorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
SMILESCC(C)N(Cc1ccccc1)c1cnnc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C19H19F2N5/c1-13(2)26(12-14-7-4-3-5-8-14)17-11-22-25-19(23-17)24-18-15(20)9-6-10-16(18)21/h3-11,13H,12H2,1-2H3,(H,23,24,25)
InChIKeyFKUKWCKQKOTWKS-UHFFFAOYSA-N
XLogP4.31
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-benzyl-3-N-(2-fluorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112959398
5-N-benzyl-3-N-phenyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112959376
5-N-benzyl-3-N-(4-methylphenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112959379
5-N-benzyl-3-N-(3,4-dichlorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112959444
5-N-benzyl-3-N-[(3,4-dimethoxyphenyl)methyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112956388
5-N-benzyl-3-N-methyl-3-N-phenyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112959380
3-N-(2,6-difluorophenyl)-5-N-(3-phenylpropyl)-1,2,4-triazine-3,5-diamine
CID 112958542
4-N-benzyl-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112900009
5-N-benzyl-5-N-ethyl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112951614
2-N-benzyl-6-N-methyl-2-N-propan-2-ylpyrazine-2,6-diamine
CID 80754126
3-N-(2,6-difluorophenyl)-5-N-(2-methoxyethyl)-1,2,4-triazine-3,5-diamine
CID 112943475
5-N-benzyl-3-N-(2-ethylphenyl)-5-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949278

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-3-N-(2,6-difluorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-benzyl-3-N-(2,6-difluorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine (CID 112959457) is 5-N-benzyl-3-N-(2,6-difluorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-benzyl-3-N-(2,6-difluorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-benzyl-3-N-(2,6-difluorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine is CC(C)N(Cc1ccccc1)c1cnnc(Nc2c(F)cccc2F)n1.
What is the InChIKey of 5-N-benzyl-3-N-(2,6-difluorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The InChIKey is FKUKWCKQKOTWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5/c1-13(2)26(12-14-7-4-3-5-8-14)17-11-22-25-19(23-17)24-18-15(20)9-6-10-16(18)21/h3-11,13H,12H2,1-2H3,(H,23,24,25).
What are the key properties of 5-N-benzyl-3-N-(2,6-difluorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
5-N-benzyl-3-N-(2,6-difluorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine has a molecular weight of 355.39 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-3-N-(2,6-difluorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112959457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).