N-methoxy-1-methyltriazole-4-carboxamide

C5H8N4O2 — CID 54526279

IUPACN-methoxy-1-methyltriazole-4-carboxamide
SMILESCONC(=O)c1cn(C)nn1
InChIInChI=1S/C5H8N4O2/c1-9-3-4(6-8-9)5(10)7-11-2/h3H,1-2H3,(H,7,10)
InChIKeyVCGZOECXQIRAOE-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.89
Rot. Bonds2

About N-methoxy-1-methyltriazole-4-carboxamide

N-methoxy-1-methyltriazole-4-carboxamide (PubChem CID 54526279) has the molecular formula C5H8N4O2 and a molecular weight of 156.14 g/mol. Its IUPAC name is N-methoxy-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-methoxy-1-methyltriazole-4-carboxamide
PubChem CID54526279
Molecular FormulaC5H8N4O2
Molecular Weight156.14 g/mol
Exact Mass156.06
IUPAC NameN-methoxy-1-methyltriazole-4-carboxamide
SMILESCONC(=O)c1cn(C)nn1
InChIInChI=1S/C5H8N4O2/c1-9-3-4(6-8-9)5(10)7-11-2/h3H,1-2H3,(H,7,10)
InChIKeyVCGZOECXQIRAOE-UHFFFAOYSA-N
XLogP-0.89
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
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 N-methoxy-1-methyltriazole-4-carboxamide?
The IUPAC name of N-methoxy-1-methyltriazole-4-carboxamide (CID 54526279) is N-methoxy-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-methoxy-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-methoxy-1-methyltriazole-4-carboxamide is CONC(=O)c1cn(C)nn1.
What is the InChIKey of N-methoxy-1-methyltriazole-4-carboxamide?
The InChIKey is VCGZOECXQIRAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-9-3-4(6-8-9)5(10)7-11-2/h3H,1-2H3,(H,7,10).
What are the key properties of N-methoxy-1-methyltriazole-4-carboxamide?
N-methoxy-1-methyltriazole-4-carboxamide has a molecular weight of 156.14 g/mol, XLogP of -0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 54526279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).