6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

C8H8F3N7 — CID 80786209

IUPAC6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCC(F)(F)F)nc(-n2cccn2)n1
InChIInChI=1S/C8H8F3N7/c9-8(10,11)4-13-6-15-5(12)16-7(17-6)18-3-1-2-14-18/h1-3H,4H2,(H3,12,13,15,16,17)
InChIKeyYHAGXBHAPWWJGJ-UHFFFAOYSA-N
MW259.19 g/mol
LogP0.61
Rot. Bonds3

About 6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80786209) has the molecular formula C8H8F3N7 and a molecular weight of 259.19 g/mol. Its IUPAC name is 6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80786209
Molecular FormulaC8H8F3N7
Molecular Weight259.19 g/mol
Exact Mass259.08
IUPAC Name6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCC(F)(F)F)nc(-n2cccn2)n1
InChIInChI=1S/C8H8F3N7/c9-8(10,11)4-13-6-15-5(12)16-7(17-6)18-3-1-2-14-18/h1-3H,4H2,(H3,12,13,15,16,17)
InChIKeyYHAGXBHAPWWJGJ-UHFFFAOYSA-N
XLogP0.61
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-pyrazol-1-yl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine
CID 115523062
6-pyrazol-1-yl-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine
CID 83146536
2-N-[2-(dimethylamino)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770186
2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80784120
2-[2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 80826375
2-N-(2-phenylethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80772450
6-pyrazol-1-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80832241
2-N-(1-methoxypropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80784918
4-hydrazinyl-6-pyrazol-1-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine
CID 106294468
2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80778918
2-N-[(5-methylfuran-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80827784
2-N-(oxan-4-ylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80846232

Frequently Asked Questions

What is the IUPAC name of 6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (CID 80786209) is 6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(NCC(F)(F)F)nc(-n2cccn2)n1.
What is the InChIKey of 6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YHAGXBHAPWWJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N7/c9-8(10,11)4-13-6-15-5(12)16-7(17-6)18-3-1-2-14-18/h1-3H,4H2,(H3,12,13,15,16,17).
What are the key properties of 6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 259.19 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80786209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).