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

C13H20N4 — CID 51885544

IUPAC(2R)-3-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
SMILESCC(C)[C@@H](C)N[C@@H](C)c1nnc2ccccn12
InChIInChI=1S/C13H20N4/c1-9(2)10(3)14-11(4)13-16-15-12-7-5-6-8-17(12)13/h5-11,14H,1-4H3/t10-,11+/m1/s1
InChIKeyNEFNANGNQCAHHR-MNOVXSKESA-N
MW232.33 g/mol
LogP2.42
Rot. Bonds4

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

(2R)-3-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine (PubChem CID 51885544) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is (2R)-3-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-3-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
PubChem CID51885544
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name(2R)-3-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
SMILESCC(C)[C@@H](C)N[C@@H](C)c1nnc2ccccn12
InChIInChI=1S/C13H20N4/c1-9(2)10(3)14-11(4)13-16-15-12-7-5-6-8-17(12)13/h5-11,14H,1-4H3/t10-,11+/m1/s1
InChIKeyNEFNANGNQCAHHR-MNOVXSKESA-N
XLogP2.42
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
CID 43685626
1-pyridin-4-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43685630
(2S)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine
CID 51885542
3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 149496307
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
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-yn-1-amine
CID 60720945
2-(methylamino)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 55097089
3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclobutan-1-amine
CID 113463274
2,2,2-trifluoro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 62492143
2-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 43703564
(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 (2R)-3-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine?
The IUPAC name of (2R)-3-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine (CID 51885544) is (2R)-3-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine.
What is the SMILES notation for (2R)-3-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine?
The canonical SMILES for (2R)-3-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine is CC(C)[C@@H](C)N[C@@H](C)c1nnc2ccccn12.
What is the InChIKey of (2R)-3-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine?
The InChIKey is NEFNANGNQCAHHR-MNOVXSKESA-N. The full InChI is InChI=1S/C13H20N4/c1-9(2)10(3)14-11(4)13-16-15-12-7-5-6-8-17(12)13/h5-11,14H,1-4H3/t10-,11+/m1/s1.
What are the key properties of (2R)-3-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine?
(2R)-3-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine has a molecular weight of 232.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine is sourced from PubChem (CID 51885544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).