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

C11H13F3N6OS — CID 133493571

IUPACN-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCOCc1nc2n(n1)CC(Nc1nnc(C(F)(F)F)s1)CC2
InChIInChI=1S/C11H13F3N6OS/c1-21-5-7-16-8-3-2-6(4-20(8)19-7)15-10-18-17-9(22-10)11(12,13)14/h6H,2-5H2,1H3,(H,15,18)
InChIKeyZECCIWJGCNPPGN-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.72
Rot. Bonds4

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

N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 133493571) has the molecular formula C11H13F3N6OS and a molecular weight of 334.33 g/mol. Its IUPAC name is N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID133493571
Molecular FormulaC11H13F3N6OS
Molecular Weight334.33 g/mol
Exact Mass334.08
IUPAC NameN-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCOCc1nc2n(n1)CC(Nc1nnc(C(F)(F)F)s1)CC2
InChIInChI=1S/C11H13F3N6OS/c1-21-5-7-16-8-3-2-6(4-20(8)19-7)15-10-18-17-9(22-10)11(12,13)14/h6H,2-5H2,1H3,(H,15,18)
InChIKeyZECCIWJGCNPPGN-UHFFFAOYSA-N
XLogP1.72
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 71918723
3-ethyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-thiadiazol-5-amine
CID 71969900
N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 75380671
1-[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 71972149
1-[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86818005
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 97054163
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 97054164
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 99631295
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 99631296
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
N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 133501595
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 133501683

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 133493571) is N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is COCc1nc2n(n1)CC(Nc1nnc(C(F)(F)F)s1)CC2.
What is the InChIKey of N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is ZECCIWJGCNPPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6OS/c1-21-5-7-16-8-3-2-6(4-20(8)19-7)15-10-18-17-9(22-10)11(12,13)14/h6H,2-5H2,1H3,(H,15,18).
What are the key properties of N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 334.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133493571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).