amino 3-amino-1H-1,2,4-triazole-5-carboxylate

C3H5N5O2 — CID 66941999

IUPACamino 3-amino-1H-1,2,4-triazole-5-carboxylate
SMILESNOC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C3H5N5O2/c4-3-6-1(7-8-3)2(9)10-5/h5H2,(H3,4,6,7,8)
InChIKeyNRWBBYXZLGNRBM-UHFFFAOYSA-N
MW143.11 g/mol
LogP-1.58
Rot. Bonds1

About amino 3-amino-1H-1,2,4-triazole-5-carboxylate

amino 3-amino-1H-1,2,4-triazole-5-carboxylate (PubChem CID 66941999) has the molecular formula C3H5N5O2 and a molecular weight of 143.11 g/mol. Its IUPAC name is amino 3-amino-1H-1,2,4-triazole-5-carboxylate.

Molecular Properties

Compound Nameamino 3-amino-1H-1,2,4-triazole-5-carboxylate
PubChem CID66941999
Molecular FormulaC3H5N5O2
Molecular Weight143.11 g/mol
Exact Mass143.04
IUPAC Nameamino 3-amino-1H-1,2,4-triazole-5-carboxylate
SMILESNOC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C3H5N5O2/c4-3-6-1(7-8-3)2(9)10-5/h5H2,(H3,4,6,7,8)
InChIKeyNRWBBYXZLGNRBM-UHFFFAOYSA-N
XLogP-1.58
TPSA119.91 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 ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino 3-amino-1H-1,2,4-triazole-5-carboxylate?
The IUPAC name of amino 3-amino-1H-1,2,4-triazole-5-carboxylate (CID 66941999) is amino 3-amino-1H-1,2,4-triazole-5-carboxylate.
What is the SMILES notation for amino 3-amino-1H-1,2,4-triazole-5-carboxylate?
The canonical SMILES for amino 3-amino-1H-1,2,4-triazole-5-carboxylate is NOC(=O)c1nc(N)n[nH]1.
What is the InChIKey of amino 3-amino-1H-1,2,4-triazole-5-carboxylate?
The InChIKey is NRWBBYXZLGNRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N5O2/c4-3-6-1(7-8-3)2(9)10-5/h5H2,(H3,4,6,7,8).
What are the key properties of amino 3-amino-1H-1,2,4-triazole-5-carboxylate?
amino 3-amino-1H-1,2,4-triazole-5-carboxylate has a molecular weight of 143.11 g/mol, XLogP of -1.58, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for amino 3-amino-1H-1,2,4-triazole-5-carboxylate is sourced from PubChem (CID 66941999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).