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

C12H13F2N5 — CID 112939083

IUPAC5-N-(3,4-difluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
SMILESCC(C)Nc1nncc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H13F2N5/c1-7(2)16-12-18-11(6-15-19-12)17-8-3-4-9(13)10(14)5-8/h3-7H,1-2H3,(H2,16,17,18,19)
InChIKeyJXMUDCRKIIDWOW-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.71
Rot. Bonds4

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

5-N-(3,4-difluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine (PubChem CID 112939083) has the molecular formula C12H13F2N5 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-N-(3,4-difluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(3,4-difluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
PubChem CID112939083
Molecular FormulaC12H13F2N5
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name5-N-(3,4-difluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
SMILESCC(C)Nc1nncc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H13F2N5/c1-7(2)16-12-18-11(6-15-19-12)17-8-3-4-9(13)10(14)5-8/h3-7H,1-2H3,(H2,16,17,18,19)
InChIKeyJXMUDCRKIIDWOW-UHFFFAOYSA-N
XLogP2.71
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(4-fluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112939002
3-N-(3,4-difluorophenyl)-5-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963384
5-N-(3-chloro-4-fluorophenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112949132
5-N-(3-methylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938979
5-N-(4-bromo-3-methylphenyl)-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969226
5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112939056
3-N-(3-chlorophenyl)-5-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965993
3-N-propan-2-yl-5-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112939023
5-N-(3-bromophenyl)-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969169
5-N-[4-(diethylamino)phenyl]-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112968894
5-N-(2,5-dichlorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112939069
5-N-(3,4-difluorophenyl)-3-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112969056

Frequently Asked Questions

What is the IUPAC name of 5-N-(3,4-difluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(3,4-difluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine (CID 112939083) is 5-N-(3,4-difluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(3,4-difluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(3,4-difluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine is CC(C)Nc1nncc(Nc2ccc(F)c(F)c2)n1.
What is the InChIKey of 5-N-(3,4-difluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The InChIKey is JXMUDCRKIIDWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N5/c1-7(2)16-12-18-11(6-15-19-12)17-8-3-4-9(13)10(14)5-8/h3-7H,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-N-(3,4-difluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
5-N-(3,4-difluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine has a molecular weight of 265.27 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,4-difluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112939083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).