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

C3H5N5O — CID 18707494

IUPAC3-amino-1H-1,2,4-triazole-5-carboxamide
SMILESNC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C3H5N5O/c4-1(9)2-6-3(5)8-7-2/h(H2,4,9)(H3,5,6,7,8)
InChIKeyAFRNYWNYLIOMPT-UHFFFAOYSA-N
MW127.11 g/mol
LogP-1.51
Rot. Bonds1

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

3-amino-1H-1,2,4-triazole-5-carboxamide (PubChem CID 18707494) has the molecular formula C3H5N5O and a molecular weight of 127.11 g/mol. Its IUPAC name is 3-amino-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-1H-1,2,4-triazole-5-carboxamide
PubChem CID18707494
Molecular FormulaC3H5N5O
Molecular Weight127.11 g/mol
Exact Mass127.05
IUPAC Name3-amino-1H-1,2,4-triazole-5-carboxamide
SMILESNC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C3H5N5O/c4-1(9)2-6-3(5)8-7-2/h(H2,4,9)(H3,5,6,7,8)
InChIKeyAFRNYWNYLIOMPT-UHFFFAOYSA-N
XLogP-1.51
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.11
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-1H-1,2,4-triazole-5-carboxamide (CID 18707494) is 3-amino-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-1H-1,2,4-triazole-5-carboxamide is NC(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is AFRNYWNYLIOMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N5O/c4-1(9)2-6-3(5)8-7-2/h(H2,4,9)(H3,5,6,7,8).
What are the key properties of 3-amino-1H-1,2,4-triazole-5-carboxamide?
3-amino-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 127.11 g/mol, XLogP of -1.51, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 18707494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).