4-amino-6-methyl-1,3,5-triazine-2-carboxylic acid

C5H6N4O2 — CID 535605

IUPAC4-amino-6-methyl-1,3,5-triazine-2-carboxylic acid
SMILESCc1nc(N)nc(C(=O)O)n1
InChIInChI=1S/C5H6N4O2/c1-2-7-3(4(10)11)9-5(6)8-2/h1H3,(H,10,11)(H2,6,7,8,9)
InChIKeyNZQVTGHMULOUHM-UHFFFAOYSA-N
MW154.13 g/mol
LogP-0.54
Rot. Bonds1

About 4-amino-6-methyl-1,3,5-triazine-2-carboxylic acid

4-amino-6-methyl-1,3,5-triazine-2-carboxylic acid (PubChem CID 535605) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is 4-amino-6-methyl-1,3,5-triazine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-methyl-1,3,5-triazine-2-carboxylic acid
PubChem CID535605
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Name4-amino-6-methyl-1,3,5-triazine-2-carboxylic acid
SMILESCc1nc(N)nc(C(=O)O)n1
InChIInChI=1S/C5H6N4O2/c1-2-7-3(4(10)11)9-5(6)8-2/h1H3,(H,10,11)(H2,6,7,8,9)
InChIKeyNZQVTGHMULOUHM-UHFFFAOYSA-N
XLogP-0.54
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-1,3,5-triazine-2-carboxylic acid?
The IUPAC name of 4-amino-6-methyl-1,3,5-triazine-2-carboxylic acid (CID 535605) is 4-amino-6-methyl-1,3,5-triazine-2-carboxylic acid.
What is the SMILES notation for 4-amino-6-methyl-1,3,5-triazine-2-carboxylic acid?
The canonical SMILES for 4-amino-6-methyl-1,3,5-triazine-2-carboxylic acid is Cc1nc(N)nc(C(=O)O)n1.
What is the InChIKey of 4-amino-6-methyl-1,3,5-triazine-2-carboxylic acid?
The InChIKey is NZQVTGHMULOUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2/c1-2-7-3(4(10)11)9-5(6)8-2/h1H3,(H,10,11)(H2,6,7,8,9).
What are the key properties of 4-amino-6-methyl-1,3,5-triazine-2-carboxylic acid?
4-amino-6-methyl-1,3,5-triazine-2-carboxylic acid has a molecular weight of 154.13 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-1,3,5-triazine-2-carboxylic acid is sourced from PubChem (CID 535605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).