N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C12H15F3N6S — CID 133493249

IUPACN-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nc2n(n1)CCCC2Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C12H15F3N6S/c1-6(2)8-17-9-7(4-3-5-21(9)20-8)16-11-19-18-10(22-11)12(13,14)15/h6-7H,3-5H2,1-2H3,(H,16,19)
InChIKeyHKULRJIOXZXNRP-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.22
Rot. Bonds3

About N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 133493249) has the molecular formula C12H15F3N6S and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID133493249
Molecular FormulaC12H15F3N6S
Molecular Weight332.36 g/mol
Exact Mass332.10
IUPAC NameN-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nc2n(n1)CCCC2Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C12H15F3N6S/c1-6(2)8-17-9-7(4-3-5-21(9)20-8)16-11-19-18-10(22-11)12(13,14)15/h6-7H,3-5H2,1-2H3,(H,16,19)
InChIKeyHKULRJIOXZXNRP-UHFFFAOYSA-N
XLogP3.22
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 133493249) is N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CC(C)c1nc2n(n1)CCCC2Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is HKULRJIOXZXNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N6S/c1-6(2)8-17-9-7(4-3-5-21(9)20-8)16-11-19-18-10(22-11)12(13,14)15/h6-7H,3-5H2,1-2H3,(H,16,19).
What are the key properties of N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 332.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133493249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).