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

C14H18N4O3 — CID 119955110

IUPAC2-[butan-2-yl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1ccc2nnc(C)n2c1
InChIInChI=1S/C14H18N4O3/c1-4-9(2)17(8-13(19)20)14(21)11-5-6-12-16-15-10(3)18(12)7-11/h5-7,9H,4,8H2,1-3H3,(H,19,20)
InChIKeyQKFWRBRJWQPMRH-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.36
Rot. Bonds5

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

2-[butan-2-yl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid (PubChem CID 119955110) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[butan-2-yl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid
PubChem CID119955110
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name2-[butan-2-yl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1ccc2nnc(C)n2c1
InChIInChI=1S/C14H18N4O3/c1-4-9(2)17(8-13(19)20)14(21)11-5-6-12-16-15-10(3)18(12)7-11/h5-7,9H,4,8H2,1-3H3,(H,19,20)
InChIKeyQKFWRBRJWQPMRH-UHFFFAOYSA-N
XLogP1.36
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid (CID 119955110) is 2-[butan-2-yl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)c1ccc2nnc(C)n2c1.
What is the InChIKey of 2-[butan-2-yl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid?
The InChIKey is QKFWRBRJWQPMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-4-9(2)17(8-13(19)20)14(21)11-5-6-12-16-15-10(3)18(12)7-11/h5-7,9H,4,8H2,1-3H3,(H,19,20).
What are the key properties of 2-[butan-2-yl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid?
2-[butan-2-yl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid has a molecular weight of 290.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid is sourced from PubChem (CID 119955110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).