4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine

C8H9F3N6 — CID 166003699

IUPAC4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine
SMILESCn1cnnc1Nc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C8H9F3N6/c1-16-4-12-14-7(16)13-6-3-5(8(9,10)11)15-17(6)2/h3-4H,1-2H3,(H,13,14)
InChIKeyFHKDHJRZFDTZTG-UHFFFAOYSA-N
MW246.20 g/mol
LogP1.31
Rot. Bonds2

About 4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine

4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine (PubChem CID 166003699) has the molecular formula C8H9F3N6 and a molecular weight of 246.20 g/mol. Its IUPAC name is 4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine
PubChem CID166003699
Molecular FormulaC8H9F3N6
Molecular Weight246.20 g/mol
Exact Mass246.08
IUPAC Name4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine
SMILESCn1cnnc1Nc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C8H9F3N6/c1-16-4-12-14-7(16)13-6-3-5(8(9,10)11)15-17(6)2/h3-4H,1-2H3,(H,13,14)
InChIKeyFHKDHJRZFDTZTG-UHFFFAOYSA-N
XLogP1.31
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 69039050
N'-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N-propylpropane-1,3-diamine
CID 139482718
N-[5-(difluoromethyl)-2-methylpyrazol-3-yl]imidazole-1-carbothioamide
CID 146278903
4-tert-butyl-N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-1,2,4-triazol-3-amine
CID 166003674
4-tert-butyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine
CID 166003708
N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-4-methyl-1,2,4-triazol-3-amine
CID 166003739
1-(1-Methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 171789572
3-[5-(Difluoromethyl)pyrazol-1-yl]-4,5-dimethyl-1,2,4-triazole
CID 173589713
4-Cyclopropyl-3-[5-(difluoromethyl)pyrazol-1-yl]-1,2,4-triazole
CID 173589714
3-[5-(Difluoromethyl)pyrazol-1-yl]-4-propan-2-yl-1,2,4-triazole
CID 173589715
3-[5-(Difluoromethyl)pyrazol-1-yl]-4-methyl-1,2,4-triazole
CID 173589721
3-[5-(Difluoromethyl)pyrazol-1-yl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole
CID 173589722

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine?
The IUPAC name of 4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine (CID 166003699) is 4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine?
The canonical SMILES for 4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine is Cn1cnnc1Nc1cc(C(F)(F)F)nn1C.
What is the InChIKey of 4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine?
The InChIKey is FHKDHJRZFDTZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N6/c1-16-4-12-14-7(16)13-6-3-5(8(9,10)11)15-17(6)2/h3-4H,1-2H3,(H,13,14).
What are the key properties of 4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine?
4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine has a molecular weight of 246.20 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 166003699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).