(2S)-2-amino-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pentanamide

C13H19N5O — CID 61275748

IUPAC(2S)-2-amino-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCc1nnc2ccccn12
InChIInChI=1S/C13H19N5O/c1-3-9(2)12(14)13(19)15-8-11-17-16-10-6-4-5-7-18(10)11/h4-7,9,12H,3,8,14H2,1-2H3,(H,15,19)/t9?,12-/m0/s1
InChIKeyCGBAEEZJIQJHIR-ACGXKRRESA-N
MW261.33 g/mol
LogP0.72
Rot. Bonds5

About (2S)-2-amino-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pentanamide

(2S)-2-amino-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pentanamide (PubChem CID 61275748) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pentanamide
PubChem CID61275748
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name(2S)-2-amino-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCc1nnc2ccccn12
InChIInChI=1S/C13H19N5O/c1-3-9(2)12(14)13(19)15-8-11-17-16-10-6-4-5-7-18(10)11/h4-7,9,12H,3,8,14H2,1-2H3,(H,15,19)/t9?,12-/m0/s1
InChIKeyCGBAEEZJIQJHIR-ACGXKRRESA-N
XLogP0.72
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-2-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 104897648
(2S)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943795
2-(aminomethyl)-2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 115432363
(2R)-2-(4-tert-butylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 40987219
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)but-2-enamide
CID 78909463
4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 61274777
2,3-dimethyl-4-oxo-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)but-2-enoic acid
CID 76992625
2-(methylamino)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 62638996
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 42917710
2-(2,6-dimethylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 27848457
2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-1-amine
CID 28711089

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pentanamide (CID 61275748) is (2S)-2-amino-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pentanamide is CCC(C)[C@H](N)C(=O)NCc1nnc2ccccn12.
What is the InChIKey of (2S)-2-amino-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pentanamide?
The InChIKey is CGBAEEZJIQJHIR-ACGXKRRESA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-9(2)12(14)13(19)15-8-11-17-16-10-6-4-5-7-18(10)11/h4-7,9,12H,3,8,14H2,1-2H3,(H,15,19)/t9?,12-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pentanamide?
(2S)-2-amino-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pentanamide has a molecular weight of 261.33 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pentanamide is sourced from PubChem (CID 61275748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).