1,5-diamino-1,2,4-triazole-3-carboxylic acid

C3H5N5O2 — CID 22344661

IUPAC1,5-diamino-1,2,4-triazole-3-carboxylic acid
SMILESNc1nc(C(=O)O)nn1N
InChIInChI=1S/C3H5N5O2/c4-3-6-1(2(9)10)7-8(3)5/h5H2,(H,9,10)(H2,4,6,7)
InChIKeyUBHLSHUXGRRBIZ-UHFFFAOYSA-N
MW143.11 g/mol
LogP-1.73
Rot. Bonds1

About 1,5-diamino-1,2,4-triazole-3-carboxylic acid

1,5-diamino-1,2,4-triazole-3-carboxylic acid (PubChem CID 22344661) has the molecular formula C3H5N5O2 and a molecular weight of 143.11 g/mol. Its IUPAC name is 1,5-diamino-1,2,4-triazole-3-carboxylic acid.

Molecular Properties

Compound Name1,5-diamino-1,2,4-triazole-3-carboxylic acid
PubChem CID22344661
Molecular FormulaC3H5N5O2
Molecular Weight143.11 g/mol
Exact Mass143.04
IUPAC Name1,5-diamino-1,2,4-triazole-3-carboxylic acid
SMILESNc1nc(C(=O)O)nn1N
InChIInChI=1S/C3H5N5O2/c4-3-6-1(2(9)10)7-8(3)5/h5H2,(H,9,10)(H2,4,6,7)
InChIKeyUBHLSHUXGRRBIZ-UHFFFAOYSA-N
XLogP-1.73
TPSA120.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.11
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-diamino-1,2,4-triazole-3-carboxylic acid?
The IUPAC name of 1,5-diamino-1,2,4-triazole-3-carboxylic acid (CID 22344661) is 1,5-diamino-1,2,4-triazole-3-carboxylic acid.
What is the SMILES notation for 1,5-diamino-1,2,4-triazole-3-carboxylic acid?
The canonical SMILES for 1,5-diamino-1,2,4-triazole-3-carboxylic acid is Nc1nc(C(=O)O)nn1N.
What is the InChIKey of 1,5-diamino-1,2,4-triazole-3-carboxylic acid?
The InChIKey is UBHLSHUXGRRBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N5O2/c4-3-6-1(2(9)10)7-8(3)5/h5H2,(H,9,10)(H2,4,6,7).
What are the key properties of 1,5-diamino-1,2,4-triazole-3-carboxylic acid?
1,5-diamino-1,2,4-triazole-3-carboxylic acid has a molecular weight of 143.11 g/mol, XLogP of -1.73, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diamino-1,2,4-triazole-3-carboxylic acid is sourced from PubChem (CID 22344661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).