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

C13H20N4 — CID 28711089

IUPAC2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-1-amine
SMILESCCC(CC)CNCc1nnc2ccccn12
InChIInChI=1S/C13H20N4/c1-3-11(4-2)9-14-10-13-16-15-12-7-5-6-8-17(12)13/h5-8,11,14H,3-4,9-10H2,1-2H3
InChIKeyXNRGIERCZPWDJP-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.26
Rot. Bonds6

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

2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-1-amine (PubChem CID 28711089) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-1-amine
PubChem CID28711089
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-1-amine
SMILESCCC(CC)CNCc1nnc2ccccn12
InChIInChI=1S/C13H20N4/c1-3-11(4-2)9-14-10-13-16-15-12-7-5-6-8-17(12)13/h5-8,11,14H,3-4,9-10H2,1-2H3
InChIKeyXNRGIERCZPWDJP-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine
CID 99857191
3-methylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine
CID 28711709
1-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 28711073
2,2-dimethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-ol
CID 81414347
1-(2-bromophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 28711656
(2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-2-amine
CID 51887428
(2S)-2-amino-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pentanamide
CID 61275748
1-(3-methylthiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 28711077
1-(1-propylbenzimidazol-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 119137523
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 42917710
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
CID 62472572
2-(aminomethyl)-2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 115432363

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-1-amine?
The IUPAC name of 2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-1-amine (CID 28711089) is 2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-1-amine.
What is the SMILES notation for 2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-1-amine?
The canonical SMILES for 2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-1-amine is CCC(CC)CNCc1nnc2ccccn12.
What is the InChIKey of 2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-1-amine?
The InChIKey is XNRGIERCZPWDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-3-11(4-2)9-14-10-13-16-15-12-7-5-6-8-17(12)13/h5-8,11,14H,3-4,9-10H2,1-2H3.
What are the key properties of 2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-1-amine?
2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-1-amine has a molecular weight of 232.33 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 28711089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).