(2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-2-amine

C13H20N4 — CID 51887428

IUPAC(2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-2-amine
SMILESCCCC[C@@H](C)NCc1nnc2ccccn12
InChIInChI=1S/C13H20N4/c1-3-4-7-11(2)14-10-13-16-15-12-8-5-6-9-17(12)13/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3/t11-/m1/s1
InChIKeyFYSFHDASWNSUHY-LLVKDONJSA-N
MW232.33 g/mol
LogP2.40
Rot. Bonds6

About (2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-2-amine

(2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-2-amine (PubChem CID 51887428) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is (2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-2-amine.

Molecular Properties

Compound Name(2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-2-amine
PubChem CID51887428
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name(2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-2-amine
SMILESCCCC[C@@H](C)NCc1nnc2ccccn12
InChIInChI=1S/C13H20N4/c1-3-4-7-11(2)14-10-13-16-15-12-8-5-6-9-17(12)13/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3/t11-/m1/s1
InChIKeyFYSFHDASWNSUHY-LLVKDONJSA-N
XLogP2.40
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propyl]phenol
CID 115493982
2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-1-amine
CID 28711089
1-(5-bromothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 54898205
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)hexanamide
CID 53204403
2-methyl-1-nonyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111015915
4-methyl-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]phenol
CID 43504771
4,6-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-2-amine
CID 135106778
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)but-2-enamide
CID 78909463
3-methylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine
CID 28711709
(2S)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine
CID 51885542
N,N-dimethyl-2-[(1S)-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]aniline
CID 97160726
(2S)-2-amino-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pentanamide
CID 61275748

Frequently Asked Questions

What is the IUPAC name of (2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-2-amine?
The IUPAC name of (2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-2-amine (CID 51887428) is (2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-2-amine.
What is the SMILES notation for (2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-2-amine?
The canonical SMILES for (2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-2-amine is CCCC[C@@H](C)NCc1nnc2ccccn12.
What is the InChIKey of (2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-2-amine?
The InChIKey is FYSFHDASWNSUHY-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N4/c1-3-4-7-11(2)14-10-13-16-15-12-8-5-6-9-17(12)13/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-2-amine?
(2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-2-amine has a molecular weight of 232.33 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-2-amine is sourced from PubChem (CID 51887428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).