(1S)-N-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine

C15H24N6O — CID 96511930

IUPAC(1S)-N-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESCCCc1noc([C@@H](C)N[C@@H](C)c2nnc3n2CCCC3)n1
InChIInChI=1S/C15H24N6O/c1-4-7-12-17-15(22-20-12)11(3)16-10(2)14-19-18-13-8-5-6-9-21(13)14/h10-11,16H,4-9H2,1-3H3/t10-,11+/m0/s1
InChIKeyOCOBLJKSTGCWIS-WDEREUQCSA-N
MW304.40 g/mol
LogP2.36
Rot. Bonds6

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

(1S)-N-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (PubChem CID 96511930) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is (1S)-N-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
PubChem CID96511930
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name(1S)-N-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESCCCc1noc([C@@H](C)N[C@@H](C)c2nnc3n2CCCC3)n1
InChIInChI=1S/C15H24N6O/c1-4-7-12-17-15(22-20-12)11(3)16-10(2)14-19-18-13-8-5-6-9-21(13)14/h10-11,16H,4-9H2,1-3H3/t10-,11+/m0/s1
InChIKeyOCOBLJKSTGCWIS-WDEREUQCSA-N
XLogP2.36
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 75535513
N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]hexan-3-amine
CID 103920945
5-methyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]heptan-3-amine
CID 43746945
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pentan-3-amine
CID 43748148
2,2-dimethyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]propan-1-amine
CID 61325147
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]hexan-2-amine
CID 43791499
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(4-ethylphenyl)ethanamine
CID 43748123
1-(5-methylfuran-2-yl)-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]ethanamine
CID 43746959
N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]cyclohexanamine
CID 43746944
N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]hexanamide
CID 94069831
1-cyclopropyl-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine
CID 43748151
1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine
CID 81056956

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The IUPAC name of (1S)-N-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (CID 96511930) is (1S)-N-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.
What is the SMILES notation for (1S)-N-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The canonical SMILES for (1S)-N-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is CCCc1noc([C@@H](C)N[C@@H](C)c2nnc3n2CCCC3)n1.
What is the InChIKey of (1S)-N-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The InChIKey is OCOBLJKSTGCWIS-WDEREUQCSA-N. The full InChI is InChI=1S/C15H24N6O/c1-4-7-12-17-15(22-20-12)11(3)16-10(2)14-19-18-13-8-5-6-9-21(13)14/h10-11,16H,4-9H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of (1S)-N-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
(1S)-N-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine has a molecular weight of 304.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is sourced from PubChem (CID 96511930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).