3-amino-2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide

C12H17N5O2 — CID 106112421

IUPAC3-amino-2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
SMILESCOC(CN)C(=O)NCCc1nnc2ccccn12
InChIInChI=1S/C12H17N5O2/c1-19-9(8-13)12(18)14-6-5-11-16-15-10-4-2-3-7-17(10)11/h2-4,7,9H,5-6,8,13H2,1H3,(H,14,18)
InChIKeyXEHHTJVCKGJJJL-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.64
Rot. Bonds6

About 3-amino-2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide

3-amino-2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide (PubChem CID 106112421) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
PubChem CID106112421
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name3-amino-2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
SMILESCOC(CN)C(=O)NCCc1nnc2ccccn12
InChIInChI=1S/C12H17N5O2/c1-19-9(8-13)12(18)14-6-5-11-16-15-10-4-2-3-7-17(10)11/h2-4,7,9H,5-6,8,13H2,1H3,(H,14,18)
InChIKeyXEHHTJVCKGJJJL-UHFFFAOYSA-N
XLogP-0.64
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methylamino)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 62638996
2-(aminomethyl)-2-ethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 115432348
2-amino-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 61249409
3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 24629916
2-(4-methoxyphenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 27161874
2-(4-tert-butylphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 23474335
3-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]naphthalene-2-carboxamide
CID 17446662
4-methylsulfanyl-2-pyrrol-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 121238820
(2S)-2-ethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]octanamide
CID 95629165
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]butanoic acid
CID 115352247
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]benzoic acid
CID 91947510
1-(aminomethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide
CID 81494211

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The IUPAC name of 3-amino-2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide (CID 106112421) is 3-amino-2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide is COC(CN)C(=O)NCCc1nnc2ccccn12.
What is the InChIKey of 3-amino-2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The InChIKey is XEHHTJVCKGJJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-19-9(8-13)12(18)14-6-5-11-16-15-10-4-2-3-7-17(10)11/h2-4,7,9H,5-6,8,13H2,1H3,(H,14,18).
What are the key properties of 3-amino-2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
3-amino-2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide has a molecular weight of 263.30 g/mol, XLogP of -0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide is sourced from PubChem (CID 106112421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).