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

C10H13F3N6 — CID 174343324

IUPACN-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yl-1,2,4-triazol-3-amine
SMILESCC(C)n1cnnc1Nc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C10H13F3N6/c1-6(2)19-5-14-16-9(19)15-8-4-7(10(11,12)13)17-18(8)3/h4-6H,1-3H3,(H,15,16)
InChIKeyIUFFJOFLHXIOOM-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.35
Rot. Bonds3

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

N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yl-1,2,4-triazol-3-amine (PubChem CID 174343324) has the molecular formula C10H13F3N6 and a molecular weight of 274.25 g/mol. Its IUPAC name is N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yl-1,2,4-triazol-3-amine
PubChem CID174343324
Molecular FormulaC10H13F3N6
Molecular Weight274.25 g/mol
Exact Mass274.12
IUPAC NameN-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yl-1,2,4-triazol-3-amine
SMILESCC(C)n1cnnc1Nc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C10H13F3N6/c1-6(2)19-5-14-16-9(19)15-8-4-7(10(11,12)13)17-18(8)3/h4-6H,1-3H3,(H,15,16)
InChIKeyIUFFJOFLHXIOOM-UHFFFAOYSA-N
XLogP2.35
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
CID 163590707
4-tert-butyl-N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-1,2,4-triazol-3-amine;4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine;N-(4-tert-butyl-1,2,4-triazol-3-yl)-2-methylpyridin-3-amine
CID 167617146
4-N,4-N-dimethyl-2-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133314334
1-methyl-3-(trifluoromethyl)pyrazole-5-carbothialdehyde
CID 175261994
4-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole
CID 103213654
1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine
CID 122166754
1-methyl-5-methylsulfonyl-3-(trifluoromethyl)pyrazole
CID 59356398
2-anilino-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 169091207
1-(1,5-dimethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]ethanamine
CID 19625585
1-(difluoromethyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one
CID 162651648
3-bromo-4-propan-2-yl-1,2,4-triazole
CID 155819679
4-propan-2-yl-1,2,4-triazol-3-amine
CID 62695120

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yl-1,2,4-triazol-3-amine (CID 174343324) is N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yl-1,2,4-triazol-3-amine is CC(C)n1cnnc1Nc1cc(C(F)(F)F)nn1C.
What is the InChIKey of N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yl-1,2,4-triazol-3-amine?
The InChIKey is IUFFJOFLHXIOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N6/c1-6(2)19-5-14-16-9(19)15-8-4-7(10(11,12)13)17-18(8)3/h4-6H,1-3H3,(H,15,16).
What are the key properties of N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yl-1,2,4-triazol-3-amine?
N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yl-1,2,4-triazol-3-amine has a molecular weight of 274.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 174343324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).