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

C4H7N5O2 — CID 64974852

IUPAC3-amino-N-methoxy-1H-1,2,4-triazole-5-carboxamide
SMILESCONC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C4H7N5O2/c1-11-9-3(10)2-6-4(5)8-7-2/h1H3,(H,9,10)(H3,5,6,7,8)
InChIKeyGXDNKASWINEOIP-UHFFFAOYSA-N
MW157.13 g/mol
LogP-1.32
Rot. Bonds2

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

3-amino-N-methoxy-1H-1,2,4-triazole-5-carboxamide (PubChem CID 64974852) has the molecular formula C4H7N5O2 and a molecular weight of 157.13 g/mol. Its IUPAC name is 3-amino-N-methoxy-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-methoxy-1H-1,2,4-triazole-5-carboxamide
PubChem CID64974852
Molecular FormulaC4H7N5O2
Molecular Weight157.13 g/mol
Exact Mass157.06
IUPAC Name3-amino-N-methoxy-1H-1,2,4-triazole-5-carboxamide
SMILESCONC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C4H7N5O2/c1-11-9-3(10)2-6-4(5)8-7-2/h1H3,(H,9,10)(H3,5,6,7,8)
InChIKeyGXDNKASWINEOIP-UHFFFAOYSA-N
XLogP-1.32
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 3-amino-N-methoxy-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-methoxy-1H-1,2,4-triazole-5-carboxamide (CID 64974852) is 3-amino-N-methoxy-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-methoxy-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-methoxy-1H-1,2,4-triazole-5-carboxamide is CONC(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N-methoxy-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is GXDNKASWINEOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O2/c1-11-9-3(10)2-6-4(5)8-7-2/h1H3,(H,9,10)(H3,5,6,7,8).
What are the key properties of 3-amino-N-methoxy-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-methoxy-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 157.13 g/mol, XLogP of -1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methoxy-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 64974852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).