5-N-(4-fluorophenyl)-3-N-(3-methylbutyl)-1,2,4-triazine-3,5-diamine

C14H18FN5 — CID 112959706

IUPAC5-N-(4-fluorophenyl)-3-N-(3-methylbutyl)-1,2,4-triazine-3,5-diamine
SMILESCC(C)CCNc1nncc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C14H18FN5/c1-10(2)7-8-16-14-19-13(9-17-20-14)18-12-5-3-11(15)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H2,16,18,19,20)
InChIKeyKDFAFFCEXNAALI-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.21
Rot. Bonds6

About 5-N-(4-fluorophenyl)-3-N-(3-methylbutyl)-1,2,4-triazine-3,5-diamine

5-N-(4-fluorophenyl)-3-N-(3-methylbutyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112959706) has the molecular formula C14H18FN5 and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-N-(4-fluorophenyl)-3-N-(3-methylbutyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(4-fluorophenyl)-3-N-(3-methylbutyl)-1,2,4-triazine-3,5-diamine
PubChem CID112959706
Molecular FormulaC14H18FN5
Molecular Weight275.33 g/mol
Exact Mass275.15
IUPAC Name5-N-(4-fluorophenyl)-3-N-(3-methylbutyl)-1,2,4-triazine-3,5-diamine
SMILESCC(C)CCNc1nncc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C14H18FN5/c1-10(2)7-8-16-14-19-13(9-17-20-14)18-12-5-3-11(15)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H2,16,18,19,20)
InChIKeyKDFAFFCEXNAALI-UHFFFAOYSA-N
XLogP3.21
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(3,5-dimethylphenyl)-3-N-(3-methylbutyl)-1,2,4-triazine-3,5-diamine
CID 112959691
5-N-(4-fluorophenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112939002
5-N-(4-tert-butylphenyl)-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953821
5-N-(2,5-dimethylphenyl)-3-N-(3-methylbutyl)-1,2,4-triazine-3,5-diamine
CID 112959689
3-N-[2-(4-fluorophenyl)ethyl]-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112953849
5-N-(4-ethylphenyl)-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940558
3-N-[(4-fluorophenyl)methyl]-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112950131
4-N-(4-fluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864011
3-N-(4-ethoxyphenyl)-5-N-(4-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965552
3-N-(4-fluorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112965641
5-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961865
3-N-(2-methylpropyl)-5-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112940614

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-fluorophenyl)-3-N-(3-methylbutyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(4-fluorophenyl)-3-N-(3-methylbutyl)-1,2,4-triazine-3,5-diamine (CID 112959706) is 5-N-(4-fluorophenyl)-3-N-(3-methylbutyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(4-fluorophenyl)-3-N-(3-methylbutyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(4-fluorophenyl)-3-N-(3-methylbutyl)-1,2,4-triazine-3,5-diamine is CC(C)CCNc1nncc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 5-N-(4-fluorophenyl)-3-N-(3-methylbutyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is KDFAFFCEXNAALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5/c1-10(2)7-8-16-14-19-13(9-17-20-14)18-12-5-3-11(15)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H2,16,18,19,20).
What are the key properties of 5-N-(4-fluorophenyl)-3-N-(3-methylbutyl)-1,2,4-triazine-3,5-diamine?
5-N-(4-fluorophenyl)-3-N-(3-methylbutyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 275.33 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-fluorophenyl)-3-N-(3-methylbutyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112959706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).