4-propyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine

C9H13F3N4 — CID 79964531

IUPAC4-propyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(CCC(F)(F)F)n1
InChIInChI=1S/C9H13F3N4/c1-2-3-6-14-7(16-8(13)15-6)4-5-9(10,11)12/h2-5H2,1H3,(H2,13,14,15,16)
InChIKeyNKLDXSMIKAEIHI-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.90
Rot. Bonds4

About 4-propyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine

4-propyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine (PubChem CID 79964531) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 4-propyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-propyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
PubChem CID79964531
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name4-propyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(CCC(F)(F)F)n1
InChIInChI=1S/C9H13F3N4/c1-2-3-6-14-7(16-8(13)15-6)4-5-9(10,11)12/h2-5H2,1H3,(H2,13,14,15,16)
InChIKeyNKLDXSMIKAEIHI-UHFFFAOYSA-N
XLogP1.90
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

s-Triazine, 2-amino-4-methyl-6-(trifluoromethyl)-
CID 168866
6-Ethyl-1,3,5-triazine-2,4-diamine
CID 13628
6-Propyl-1,3,5-triazine-2,4-diamine
CID 22252
6-Pentyl-1,3,5-triazine-2,4-diamine
CID 18673
2,4,6-Triethyltriazine
CID 13889
1,3,5-Triazine-2,4-diamine, 6-butyl-
CID 18602
4-Methyl-6-(propan-2-yl)-1,3,5-triazin-2-amine
CID 45092657
6-(1-Fluoroethyl)-1,3,5-triazine-2,4-diamine
CID 101880615
2-Amino-4,6-bis(heptafluoropropyl)-1,3,5-triazine
CID 15486769
2,4-Bis(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1,3,5-triazine
CID 15877564
Bis(propan-2-yl)-1,3,5-triazin-2-amine
CID 63869137
2-Amino-4-(butylamino)-6-(trifluoromethyl)-1,3,5-triazine
CID 606072

Frequently Asked Questions

What is the IUPAC name of 4-propyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-propyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine (CID 79964531) is 4-propyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-propyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-propyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine is CCCc1nc(N)nc(CCC(F)(F)F)n1.
What is the InChIKey of 4-propyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The InChIKey is NKLDXSMIKAEIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-2-3-6-14-7(16-8(13)15-6)4-5-9(10,11)12/h2-5H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-propyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
4-propyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine has a molecular weight of 234.22 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 79964531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).