3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-methylthiophen-2-amine

C12H8ClF3N4S — CID 63617371

IUPAC3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-methylthiophen-2-amine
SMILESCc1cc(-c2nnc3c(Cl)cc(C(F)(F)F)cn23)c(N)s1
InChIInChI=1S/C12H8ClF3N4S/c1-5-2-7(9(17)21-5)10-18-19-11-8(13)3-6(4-20(10)11)12(14,15)16/h2-4H,17H2,1H3
InChIKeyBHGTXXSMTHGMMH-UHFFFAOYSA-N
MW332.74 g/mol
LogP4.02
Rot. Bonds1

About 3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-methylthiophen-2-amine

3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-methylthiophen-2-amine (PubChem CID 63617371) has the molecular formula C12H8ClF3N4S and a molecular weight of 332.74 g/mol. Its IUPAC name is 3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-methylthiophen-2-amine.

Molecular Properties

Compound Name3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-methylthiophen-2-amine
PubChem CID63617371
Molecular FormulaC12H8ClF3N4S
Molecular Weight332.74 g/mol
Exact Mass332.01
IUPAC Name3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-methylthiophen-2-amine
SMILESCc1cc(-c2nnc3c(Cl)cc(C(F)(F)F)cn23)c(N)s1
InChIInChI=1S/C12H8ClF3N4S/c1-5-2-7(9(17)21-5)10-18-19-11-8(13)3-6(4-20(10)11)12(14,15)16/h2-4H,17H2,1H3
InChIKeyBHGTXXSMTHGMMH-UHFFFAOYSA-N
XLogP4.02
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.74
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-methylthiophen-2-amine with MolForge

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Related Compounds

8-chloro-3-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 142870114
2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine
CID 62676097
3-(bromomethyl)-8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 75176233
ethyl 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate
CID 79471481
1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutan-1-amine
CID 81161102
5-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-methyl-1,2,4-thiadiazole
CID 133426382
3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxypropan-1-amine
CID 103157480
1-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine
CID 64673005
2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid
CID 55125983
(2R)-2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanenitrile
CID 40813382
1-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3,3-dimethylbutan-2-one
CID 52890870
8-chloro-3-prop-2-enylsulfanyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 78766306

Frequently Asked Questions

What is the IUPAC name of 3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-methylthiophen-2-amine?
The IUPAC name of 3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-methylthiophen-2-amine (CID 63617371) is 3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-methylthiophen-2-amine.
What is the SMILES notation for 3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-methylthiophen-2-amine?
The canonical SMILES for 3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-methylthiophen-2-amine is Cc1cc(-c2nnc3c(Cl)cc(C(F)(F)F)cn23)c(N)s1.
What is the InChIKey of 3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-methylthiophen-2-amine?
The InChIKey is BHGTXXSMTHGMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N4S/c1-5-2-7(9(17)21-5)10-18-19-11-8(13)3-6(4-20(10)11)12(14,15)16/h2-4H,17H2,1H3.
What are the key properties of 3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-methylthiophen-2-amine?
3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-methylthiophen-2-amine has a molecular weight of 332.74 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-methylthiophen-2-amine is sourced from PubChem (CID 63617371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).