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

C6H8F3N5 — CID 14512642

IUPAC6-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCC(F)(F)F)n1
InChIInChI=1S/C6H8F3N5/c7-6(8,9)2-1-3-12-4(10)14-5(11)13-3/h1-2H2,(H4,10,11,12,13,14)
InChIKeySDFNHJYRRKGIHC-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.53
Rot. Bonds2

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

6-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 14512642) has the molecular formula C6H8F3N5 and a molecular weight of 207.16 g/mol. Its IUPAC name is 6-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
PubChem CID14512642
Molecular FormulaC6H8F3N5
Molecular Weight207.16 g/mol
Exact Mass207.07
IUPAC Name6-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCC(F)(F)F)n1
InChIInChI=1S/C6H8F3N5/c7-6(8,9)2-1-3-12-4(10)14-5(11)13-3/h1-2H2,(H4,10,11,12,13,14)
InChIKeySDFNHJYRRKGIHC-UHFFFAOYSA-N
XLogP0.53
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

s-Triazine, 2-amino-4-methyl-6-(trifluoromethyl)-
CID 168866
6-(1-Methylethyl)-1,3,5-triazine-2,4-diamine
CID 21498
6-Ethyl-1,3,5-triazine-2,4-diamine
CID 13628
6-Propyl-1,3,5-triazine-2,4-diamine
CID 22252
6-Cyclopropyl-1,3,5-triazine-2,4(1H,3H)-diimine
CID 212661
3-(4,6-Diamino-1,3,5-triazin-2-yl)propanenitrile
CID 20909
1,3,5-Triazine-2,4-diamine, 6-butyl-
CID 18602
4-Chloro-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-amine
CID 11446828
4-Chloro-6-(difluoromethyl)-1,3,5-triazin-2-amine
CID 79006197
6-(1-Fluoroethyl)-1,3,5-triazine-2,4-diamine
CID 101880615
2-Amino-4,6-bis(heptafluoropropyl)-1,3,5-triazine
CID 15486769
6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 178327053

Frequently Asked Questions

What is the IUPAC name of 6-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine (CID 14512642) is 6-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CCC(F)(F)F)n1.
What is the InChIKey of 6-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SDFNHJYRRKGIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N5/c7-6(8,9)2-1-3-12-4(10)14-5(11)13-3/h1-2H2,(H4,10,11,12,13,14).
What are the key properties of 6-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine?
6-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 207.16 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14512642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).