4-ethylsulfanyl-5-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1H-pyrazol-3-amine

C11H10F3N7S — CID 170213458

IUPAC4-ethylsulfanyl-5-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1H-pyrazol-3-amine
SMILESCCSc1c(N)n[nH]c1-c1nc2cc(C(F)(F)F)ncn2n1
InChIInChI=1S/C11H10F3N7S/c1-2-22-8-7(18-19-9(8)15)10-17-6-3-5(11(12,13)14)16-4-21(6)20-10/h3-4H,2H2,1H3,(H3,15,18,19)
InChIKeyZJXVPOSKHFXHRM-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.23
Rot. Bonds3

About 4-ethylsulfanyl-5-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1H-pyrazol-3-amine

4-ethylsulfanyl-5-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1H-pyrazol-3-amine (PubChem CID 170213458) has the molecular formula C11H10F3N7S and a molecular weight of 329.31 g/mol. Its IUPAC name is 4-ethylsulfanyl-5-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-ethylsulfanyl-5-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1H-pyrazol-3-amine
PubChem CID170213458
Molecular FormulaC11H10F3N7S
Molecular Weight329.31 g/mol
Exact Mass329.07
IUPAC Name4-ethylsulfanyl-5-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1H-pyrazol-3-amine
SMILESCCSc1c(N)n[nH]c1-c1nc2cc(C(F)(F)F)ncn2n1
InChIInChI=1S/C11H10F3N7S/c1-2-22-8-7(18-19-9(8)15)10-17-6-3-5(11(12,13)14)16-4-21(6)20-10/h3-4H,2H2,1H3,(H3,15,18,19)
InChIKeyZJXVPOSKHFXHRM-UHFFFAOYSA-N
XLogP2.23
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-ethylsulfonyl-1-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]pyrazol-5-yl]acetamide
CID 169180024
4-Ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]pyrazol-5-amine
CID 169180030
tert-butyl N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]pyrazol-5-yl]carbamate
CID 169180032
N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]pyrazol-5-yl]acetamide
CID 169180042
2-(4-Ethylsulfanyl-1-methylpyrazol-3-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 169777808
[4-Ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]pyrazol-5-yl]carbamic acid
CID 169778516
2-aminopropan-2-yl N-[4-ethylsulfanyl-5-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1H-pyrazol-3-yl]carbamate
CID 170213457
N-[4-ethylsulfanyl-5-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1H-pyrazol-3-yl]acetamide
CID 170213470
2-(4-Ethylsulfonyl-1-methylpyrazol-3-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 175940570
N-methyl-N-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 47983853
N-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 49430783
5-methyl-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 49430796

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-5-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1H-pyrazol-3-amine?
The IUPAC name of 4-ethylsulfanyl-5-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1H-pyrazol-3-amine (CID 170213458) is 4-ethylsulfanyl-5-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 4-ethylsulfanyl-5-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 4-ethylsulfanyl-5-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1H-pyrazol-3-amine is CCSc1c(N)n[nH]c1-c1nc2cc(C(F)(F)F)ncn2n1.
What is the InChIKey of 4-ethylsulfanyl-5-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1H-pyrazol-3-amine?
The InChIKey is ZJXVPOSKHFXHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N7S/c1-2-22-8-7(18-19-9(8)15)10-17-6-3-5(11(12,13)14)16-4-21(6)20-10/h3-4H,2H2,1H3,(H3,15,18,19).
What are the key properties of 4-ethylsulfanyl-5-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1H-pyrazol-3-amine?
4-ethylsulfanyl-5-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1H-pyrazol-3-amine has a molecular weight of 329.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-5-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 170213458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).