(2S)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine

C13H20N4 — CID 51885542

IUPAC(2S)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine
SMILESCCC[C@H](C)N[C@H](C)c1nnc2ccccn12
InChIInChI=1S/C13H20N4/c1-4-7-10(2)14-11(3)13-16-15-12-8-5-6-9-17(12)13/h5-6,8-11,14H,4,7H2,1-3H3/t10-,11+/m0/s1
InChIKeyHRNJBSYWRUZFSG-WDEREUQCSA-N
MW232.33 g/mol
LogP2.57
Rot. Bonds5

About (2S)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine

(2S)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine (PubChem CID 51885542) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine
PubChem CID51885542
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name(2S)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine
SMILESCCC[C@H](C)N[C@H](C)c1nnc2ccccn12
InChIInChI=1S/C13H20N4/c1-4-7-10(2)14-11(3)13-16-15-12-8-5-6-9-17(12)13/h5-6,8-11,14H,4,7H2,1-3H3/t10-,11+/m0/s1
InChIKeyHRNJBSYWRUZFSG-WDEREUQCSA-N
XLogP2.57
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine with MolForge

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Related Compounds

1-ethoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine
CID 113259974
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]hex-5-en-2-amine
CID 104578555
(2R)-3-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
CID 51885544
3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
CID 43685626
(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine
CID 51880743
3-hexan-3-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 138507184
1-pyridin-4-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43685630
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-yn-1-amine
CID 60720945
N-(1-pyridin-3-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine
CID 75482952
4-hydroxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide
CID 79200415
1-(2-hydroxypentyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 111337892
(1R)-N-[(2-chlorophenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 26697737

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine?
The IUPAC name of (2S)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine (CID 51885542) is (2S)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine.
What is the SMILES notation for (2S)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine?
The canonical SMILES for (2S)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine is CCC[C@H](C)N[C@H](C)c1nnc2ccccn12.
What is the InChIKey of (2S)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine?
The InChIKey is HRNJBSYWRUZFSG-WDEREUQCSA-N. The full InChI is InChI=1S/C13H20N4/c1-4-7-10(2)14-11(3)13-16-15-12-8-5-6-9-17(12)13/h5-6,8-11,14H,4,7H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of (2S)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine?
(2S)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine has a molecular weight of 232.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine is sourced from PubChem (CID 51885542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).