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

C11H9F3N6S — CID 170148141

IUPAC5-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-2H-triazol-4-amine
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(-c2n[nH]nc2N)s1
InChIInChI=1S/C11H9F3N6S/c1-20-5(4-8(18-20)11(12,13)14)6-2-3-7(21-6)9-10(15)17-19-16-9/h2-4H,1H3,(H3,15,16,17,19)
InChIKeyDPLRPPRVVRCUCD-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.53
Rot. Bonds2

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

5-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-2H-triazol-4-amine (PubChem CID 170148141) has the molecular formula C11H9F3N6S and a molecular weight of 314.30 g/mol. Its IUPAC name is 5-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-2H-triazol-4-amine.

Molecular Properties

Compound Name5-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-2H-triazol-4-amine
PubChem CID170148141
Molecular FormulaC11H9F3N6S
Molecular Weight314.30 g/mol
Exact Mass314.06
IUPAC Name5-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-2H-triazol-4-amine
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(-c2n[nH]nc2N)s1
InChIInChI=1S/C11H9F3N6S/c1-20-5(4-8(18-20)11(12,13)14)6-2-3-7(21-6)9-10(15)17-19-16-9/h2-4H,1H3,(H3,15,16,17,19)
InChIKeyDPLRPPRVVRCUCD-UHFFFAOYSA-N
XLogP2.53
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-2H-triazol-4-amine?
The IUPAC name of 5-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-2H-triazol-4-amine (CID 170148141) is 5-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-2H-triazol-4-amine.
What is the SMILES notation for 5-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-2H-triazol-4-amine?
The canonical SMILES for 5-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-2H-triazol-4-amine is Cn1nc(C(F)(F)F)cc1-c1ccc(-c2n[nH]nc2N)s1.
What is the InChIKey of 5-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-2H-triazol-4-amine?
The InChIKey is DPLRPPRVVRCUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N6S/c1-20-5(4-8(18-20)11(12,13)14)6-2-3-7(21-6)9-10(15)17-19-16-9/h2-4H,1H3,(H3,15,16,17,19).
What are the key properties of 5-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-2H-triazol-4-amine?
5-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-2H-triazol-4-amine has a molecular weight of 314.30 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-2H-triazol-4-amine is sourced from PubChem (CID 170148141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).