6-(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine

C7H10F3N5 — CID 151249753

IUPAC6-(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC(c1nc(N)nc(N)n1)C(F)(F)F
InChIInChI=1S/C7H10F3N5/c1-2-3(7(8,9)10)4-13-5(11)15-6(12)14-4/h3H,2H2,1H3,(H4,11,12,13,14,15)
InChIKeyNSBMPYLNZRBOGD-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.09
Rot. Bonds2

About 6-(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine

6-(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 151249753) has the molecular formula C7H10F3N5 and a molecular weight of 221.19 g/mol. Its IUPAC name is 6-(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID151249753
Molecular FormulaC7H10F3N5
Molecular Weight221.19 g/mol
Exact Mass221.09
IUPAC Name6-(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC(c1nc(N)nc(N)n1)C(F)(F)F
InChIInChI=1S/C7H10F3N5/c1-2-3(7(8,9)10)4-13-5(11)15-6(12)14-4/h3H,2H2,1H3,(H4,11,12,13,14,15)
InChIKeyNSBMPYLNZRBOGD-UHFFFAOYSA-N
XLogP1.09
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine (CID 151249753) is 6-(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine is CCC(c1nc(N)nc(N)n1)C(F)(F)F.
What is the InChIKey of 6-(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NSBMPYLNZRBOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N5/c1-2-3(7(8,9)10)4-13-5(11)15-6(12)14-4/h3H,2H2,1H3,(H4,11,12,13,14,15).
What are the key properties of 6-(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine?
6-(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 221.19 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 151249753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).