1-methyl-4-(methylamino)imidazole-2-carboxylic acid

C6H9N3O2 — CID 122407712

IUPAC1-methyl-4-(methylamino)imidazole-2-carboxylic acid
SMILESCNc1cn(C)c(C(=O)O)n1
InChIInChI=1S/C6H9N3O2/c1-7-4-3-9(2)5(8-4)6(10)11/h3,7H,1-2H3,(H,10,11)
InChIKeyQFOMQPHAYYMQOQ-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.16
Rot. Bonds2

About 1-methyl-4-(methylamino)imidazole-2-carboxylic acid

1-methyl-4-(methylamino)imidazole-2-carboxylic acid (PubChem CID 122407712) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 1-methyl-4-(methylamino)imidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-(methylamino)imidazole-2-carboxylic acid
PubChem CID122407712
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name1-methyl-4-(methylamino)imidazole-2-carboxylic acid
SMILESCNc1cn(C)c(C(=O)O)n1
InChIInChI=1S/C6H9N3O2/c1-7-4-3-9(2)5(8-4)6(10)11/h3,7H,1-2H3,(H,10,11)
InChIKeyQFOMQPHAYYMQOQ-UHFFFAOYSA-N
XLogP0.16
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(methylamino)imidazole-2-carboxylic acid?
The IUPAC name of 1-methyl-4-(methylamino)imidazole-2-carboxylic acid (CID 122407712) is 1-methyl-4-(methylamino)imidazole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-4-(methylamino)imidazole-2-carboxylic acid?
The canonical SMILES for 1-methyl-4-(methylamino)imidazole-2-carboxylic acid is CNc1cn(C)c(C(=O)O)n1.
What is the InChIKey of 1-methyl-4-(methylamino)imidazole-2-carboxylic acid?
The InChIKey is QFOMQPHAYYMQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-7-4-3-9(2)5(8-4)6(10)11/h3,7H,1-2H3,(H,10,11).
What are the key properties of 1-methyl-4-(methylamino)imidazole-2-carboxylic acid?
1-methyl-4-(methylamino)imidazole-2-carboxylic acid has a molecular weight of 155.16 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(methylamino)imidazole-2-carboxylic acid is sourced from PubChem (CID 122407712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).