1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine

C16H20N6OS — CID 95333628

IUPAC1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCCc1nnc2n1C[C@H](CNCc1nc(-c3cccs3)no1)CC2
InChIInChI=1S/C16H20N6OS/c1-2-13-19-20-14-6-5-11(10-22(13)14)8-17-9-15-18-16(21-23-15)12-4-3-7-24-12/h3-4,7,11,17H,2,5-6,8-10H2,1H3/t11-/m0/s1
InChIKeyJEKYLWPCQMGSGM-NSHDSACASA-N
MW344.44 g/mol
LogP2.30
Rot. Bonds6

About 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine

1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 95333628) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID95333628
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC Name1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCCc1nnc2n1C[C@H](CNCc1nc(-c3cccs3)no1)CC2
InChIInChI=1S/C16H20N6OS/c1-2-13-19-20-14-6-5-11(10-22(13)14)8-17-9-15-18-16(21-23-15)12-4-3-7-24-12/h3-4,7,11,17H,2,5-6,8-10H2,1H3/t11-/m0/s1
InChIKeyJEKYLWPCQMGSGM-NSHDSACASA-N
XLogP2.30
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 97009472
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95302274
N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexanecarboxamide
CID 110293437
(2R)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 27261231
1-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 50945072
N-(methylsulfamoyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 110632114
1-cyclopropyl-N-ethyl-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 63347362
N-ethyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63347277
1-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 50947861
[5-methyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholin-2-yl]methanol
CID 81213945
N-(1,3-benzodioxol-4-ylmethyl)-1-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95979112
1-[(1R,9S)-4-ethyl-3,5,6,12-tetrazatricyclo[7.2.1.03,7]dodeca-4,6-dien-12-yl]-2-thiophen-2-ylethanone
CID 163336089

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 95333628) is 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is CCc1nnc2n1C[C@H](CNCc1nc(-c3cccs3)no1)CC2.
What is the InChIKey of 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is JEKYLWPCQMGSGM-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N6OS/c1-2-13-19-20-14-6-5-11(10-22(13)14)8-17-9-15-18-16(21-23-15)12-4-3-7-24-12/h3-4,7,11,17H,2,5-6,8-10H2,1H3/t11-/m0/s1.
What are the key properties of 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 344.44 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 95333628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).