1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid

C10H12N6O3 — CID 66321006

IUPAC1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid
SMILESCOc1cc(NCCn2cc(C(=O)O)nn2)ncn1
InChIInChI=1S/C10H12N6O3/c1-19-9-4-8(12-6-13-9)11-2-3-16-5-7(10(17)18)14-15-16/h4-6H,2-3H2,1H3,(H,17,18)(H,11,12,13)
InChIKeyLFNZBPKLPNCENL-UHFFFAOYSA-N
MW264.25 g/mol
LogP-0.11
Rot. Bonds6

About 1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid

1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid (PubChem CID 66321006) has the molecular formula C10H12N6O3 and a molecular weight of 264.25 g/mol. Its IUPAC name is 1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid
PubChem CID66321006
Molecular FormulaC10H12N6O3
Molecular Weight264.25 g/mol
Exact Mass264.10
IUPAC Name1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid
SMILESCOc1cc(NCCn2cc(C(=O)O)nn2)ncn1
InChIInChI=1S/C10H12N6O3/c1-19-9-4-8(12-6-13-9)11-2-3-16-5-7(10(17)18)14-15-16/h4-6H,2-3H2,1H3,(H,17,18)(H,11,12,13)
InChIKeyLFNZBPKLPNCENL-UHFFFAOYSA-N
XLogP-0.11
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid (CID 66321006) is 1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid is COc1cc(NCCn2cc(C(=O)O)nn2)ncn1.
What is the InChIKey of 1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid?
The InChIKey is LFNZBPKLPNCENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3/c1-19-9-4-8(12-6-13-9)11-2-3-16-5-7(10(17)18)14-15-16/h4-6H,2-3H2,1H3,(H,17,18)(H,11,12,13).
What are the key properties of 1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid?
1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid has a molecular weight of 264.25 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 66321006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).