4-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]butanoic acid

C13H16N4O3 — CID 119135807

IUPAC4-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]butanoic acid
SMILESCc1nnc2ccc(C(=O)N(C)CCCC(=O)O)cn12
InChIInChI=1S/C13H16N4O3/c1-9-14-15-11-6-5-10(8-17(9)11)13(20)16(2)7-3-4-12(18)19/h5-6,8H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyBOMCSJPAOPKLRQ-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.97
Rot. Bonds5

About 4-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]butanoic acid

4-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]butanoic acid (PubChem CID 119135807) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]butanoic acid
PubChem CID119135807
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name4-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]butanoic acid
SMILESCc1nnc2ccc(C(=O)N(C)CCCC(=O)O)cn12
InChIInChI=1S/C13H16N4O3/c1-9-14-15-11-6-5-10(8-17(9)11)13(20)16(2)7-3-4-12(18)19/h5-6,8H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyBOMCSJPAOPKLRQ-UHFFFAOYSA-N
XLogP0.97
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid
CID 119135797
2-[butan-2-yl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid
CID 119955110
4-[(4-acetylbenzoyl)-methylamino]butanoic acid
CID 119172709
4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid
CID 43090429
4-[(1-ethylpyrazole-4-carbonyl)-methylamino]butanoic acid
CID 119173115
4-[8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-3-carbonyl(methyl)amino]butanoic acid
CID 120513841
4-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid
CID 43565635
4-[(3-chloro-4-iodobenzoyl)-methylamino]butanoic acid
CID 103803012
3-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 47090674
4-[methyl-[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]butanoic acid
CID 119173243
4-[(4-ethyl-3-methylsulfonylbenzoyl)-methylamino]butanoic acid
CID 120513958
4-[1,3-benzodioxole-5-carbonyl(methyl)amino]butanoic acid
CID 43090104

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]butanoic acid (CID 119135807) is 4-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]butanoic acid is Cc1nnc2ccc(C(=O)N(C)CCCC(=O)O)cn12.
What is the InChIKey of 4-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]butanoic acid?
The InChIKey is BOMCSJPAOPKLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-9-14-15-11-6-5-10(8-17(9)11)13(20)16(2)7-3-4-12(18)19/h5-6,8H,3-4,7H2,1-2H3,(H,18,19).
What are the key properties of 4-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]butanoic acid?
4-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]butanoic acid has a molecular weight of 276.30 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119135807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).