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

C4H4N4O2 — CID 150970012

IUPAC5-amino-1,2,4-triazine-3-carboxylic acid
SMILESNc1cnnc(C(=O)O)n1
InChIInChI=1S/C4H4N4O2/c5-2-1-6-8-3(7-2)4(9)10/h1H,(H,9,10)(H2,5,7,8)
InChIKeyLNXKJCUIUDJHQN-UHFFFAOYSA-N
MW140.10 g/mol
LogP-0.85
Rot. Bonds1

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

5-amino-1,2,4-triazine-3-carboxylic acid (PubChem CID 150970012) has the molecular formula C4H4N4O2 and a molecular weight of 140.10 g/mol. Its IUPAC name is 5-amino-1,2,4-triazine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-1,2,4-triazine-3-carboxylic acid
PubChem CID150970012
Molecular FormulaC4H4N4O2
Molecular Weight140.10 g/mol
Exact Mass140.03
IUPAC Name5-amino-1,2,4-triazine-3-carboxylic acid
SMILESNc1cnnc(C(=O)O)n1
InChIInChI=1S/C4H4N4O2/c5-2-1-6-8-3(7-2)4(9)10/h1H,(H,9,10)(H2,5,7,8)
InChIKeyLNXKJCUIUDJHQN-UHFFFAOYSA-N
XLogP-0.85
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1,2,4-triazine-3-carboxylic acid?
The IUPAC name of 5-amino-1,2,4-triazine-3-carboxylic acid (CID 150970012) is 5-amino-1,2,4-triazine-3-carboxylic acid.
What is the SMILES notation for 5-amino-1,2,4-triazine-3-carboxylic acid?
The canonical SMILES for 5-amino-1,2,4-triazine-3-carboxylic acid is Nc1cnnc(C(=O)O)n1.
What is the InChIKey of 5-amino-1,2,4-triazine-3-carboxylic acid?
The InChIKey is LNXKJCUIUDJHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O2/c5-2-1-6-8-3(7-2)4(9)10/h1H,(H,9,10)(H2,5,7,8).
What are the key properties of 5-amino-1,2,4-triazine-3-carboxylic acid?
5-amino-1,2,4-triazine-3-carboxylic acid has a molecular weight of 140.10 g/mol, XLogP of -0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,2,4-triazine-3-carboxylic acid is sourced from PubChem (CID 150970012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).