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

C5H6N4O3 — CID 3693988

IUPAC4-amino-6-methoxy-1,3,5-triazine-2-carboxylic acid
SMILESCOc1nc(N)nc(C(=O)O)n1
InChIInChI=1S/C5H6N4O3/c1-12-5-8-2(3(10)11)7-4(6)9-5/h1H3,(H,10,11)(H2,6,7,8,9)
InChIKeyPWWLZHMZBKQGQQ-UHFFFAOYSA-N
MW170.13 g/mol
LogP-0.84
Rot. Bonds2

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

4-amino-6-methoxy-1,3,5-triazine-2-carboxylic acid (PubChem CID 3693988) has the molecular formula C5H6N4O3 and a molecular weight of 170.13 g/mol. Its IUPAC name is 4-amino-6-methoxy-1,3,5-triazine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-methoxy-1,3,5-triazine-2-carboxylic acid
PubChem CID3693988
Molecular FormulaC5H6N4O3
Molecular Weight170.13 g/mol
Exact Mass170.04
IUPAC Name4-amino-6-methoxy-1,3,5-triazine-2-carboxylic acid
SMILESCOc1nc(N)nc(C(=O)O)n1
InChIInChI=1S/C5H6N4O3/c1-12-5-8-2(3(10)11)7-4(6)9-5/h1H3,(H,10,11)(H2,6,7,8,9)
InChIKeyPWWLZHMZBKQGQQ-UHFFFAOYSA-N
XLogP-0.84
TPSA111.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methoxy-1,3,5-triazine-2-carboxylic acid?
The IUPAC name of 4-amino-6-methoxy-1,3,5-triazine-2-carboxylic acid (CID 3693988) is 4-amino-6-methoxy-1,3,5-triazine-2-carboxylic acid.
What is the SMILES notation for 4-amino-6-methoxy-1,3,5-triazine-2-carboxylic acid?
The canonical SMILES for 4-amino-6-methoxy-1,3,5-triazine-2-carboxylic acid is COc1nc(N)nc(C(=O)O)n1.
What is the InChIKey of 4-amino-6-methoxy-1,3,5-triazine-2-carboxylic acid?
The InChIKey is PWWLZHMZBKQGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O3/c1-12-5-8-2(3(10)11)7-4(6)9-5/h1H3,(H,10,11)(H2,6,7,8,9).
What are the key properties of 4-amino-6-methoxy-1,3,5-triazine-2-carboxylic acid?
4-amino-6-methoxy-1,3,5-triazine-2-carboxylic acid has a molecular weight of 170.13 g/mol, XLogP of -0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methoxy-1,3,5-triazine-2-carboxylic acid is sourced from PubChem (CID 3693988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).