2-[4-[methyl(pyridin-2-yl)carbamoyl]triazol-1-yl]acetic acid

C11H11N5O3 — CID 66291027

IUPAC2-[4-[methyl(pyridin-2-yl)carbamoyl]triazol-1-yl]acetic acid
SMILESCN(C(=O)c1cn(CC(=O)O)nn1)c1ccccn1
InChIInChI=1S/C11H11N5O3/c1-15(9-4-2-3-5-12-9)11(19)8-6-16(14-13-8)7-10(17)18/h2-6H,7H2,1H3,(H,17,18)
InChIKeyIVINDOSRMINKGC-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.03
Rot. Bonds4

About 2-[4-[methyl(pyridin-2-yl)carbamoyl]triazol-1-yl]acetic acid

2-[4-[methyl(pyridin-2-yl)carbamoyl]triazol-1-yl]acetic acid (PubChem CID 66291027) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-[4-[methyl(pyridin-2-yl)carbamoyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[methyl(pyridin-2-yl)carbamoyl]triazol-1-yl]acetic acid
PubChem CID66291027
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name2-[4-[methyl(pyridin-2-yl)carbamoyl]triazol-1-yl]acetic acid
SMILESCN(C(=O)c1cn(CC(=O)O)nn1)c1ccccn1
InChIInChI=1S/C11H11N5O3/c1-15(9-4-2-3-5-12-9)11(19)8-6-16(14-13-8)7-10(17)18/h2-6H,7H2,1H3,(H,17,18)
InChIKeyIVINDOSRMINKGC-UHFFFAOYSA-N
XLogP0.03
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[methyl-(3-methylphenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66288359
2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-dicarboxamide
CID 101347293
2-[4-[methyl(pentyl)carbamoyl]triazol-1-yl]acetic acid
CID 66288728
2-[4-[methyl(3-methylsulfanylpropyl)carbamoyl]triazol-1-yl]acetic acid
CID 114238096
2-[4-[methyl-(2-methylcyclohexyl)carbamoyl]triazol-1-yl]acetic acid
CID 66289181
2-[4-[methyl(thiophen-3-ylmethyl)carbamoyl]triazol-1-yl]acetic acid
CID 66289790
2-[4-[2-(2-methylphenyl)ethylcarbamoyl]triazol-1-yl]acetic acid
CID 79756022
1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-N-naphthalen-1-yltriazole-4-carboxamide
CID 167960568
2-[4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]triazol-1-yl]acetic acid
CID 66288132
2-[4-[cyclopropylmethyl(propan-2-yl)carbamoyl]triazol-1-yl]acetic acid
CID 66288762
2-[4-[ethyl-(4-methylphenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66288357
N-methyl-4-phenyl-N-pyridin-2-ylbenzamide
CID 51051172

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(pyridin-2-yl)carbamoyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[methyl(pyridin-2-yl)carbamoyl]triazol-1-yl]acetic acid (CID 66291027) is 2-[4-[methyl(pyridin-2-yl)carbamoyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[methyl(pyridin-2-yl)carbamoyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[methyl(pyridin-2-yl)carbamoyl]triazol-1-yl]acetic acid is CN(C(=O)c1cn(CC(=O)O)nn1)c1ccccn1.
What is the InChIKey of 2-[4-[methyl(pyridin-2-yl)carbamoyl]triazol-1-yl]acetic acid?
The InChIKey is IVINDOSRMINKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-15(9-4-2-3-5-12-9)11(19)8-6-16(14-13-8)7-10(17)18/h2-6H,7H2,1H3,(H,17,18).
What are the key properties of 2-[4-[methyl(pyridin-2-yl)carbamoyl]triazol-1-yl]acetic acid?
2-[4-[methyl(pyridin-2-yl)carbamoyl]triazol-1-yl]acetic acid has a molecular weight of 261.24 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(pyridin-2-yl)carbamoyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 66291027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).