N-methoxy-2H-triazole-4-carboxamide

C4H6N4O2 — CID 61071492

IUPACN-methoxy-2H-triazole-4-carboxamide
SMILESCONC(=O)c1cn[nH]n1
InChIInChI=1S/C4H6N4O2/c1-10-7-4(9)3-2-5-8-6-3/h2H,1H3,(H,7,9)(H,5,6,8)
InChIKeyCZTYAEQPHXEKOL-UHFFFAOYSA-N
MW142.12 g/mol
LogP-0.90
Rot. Bonds2

About N-methoxy-2H-triazole-4-carboxamide

N-methoxy-2H-triazole-4-carboxamide (PubChem CID 61071492) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is N-methoxy-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-methoxy-2H-triazole-4-carboxamide
PubChem CID61071492
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC NameN-methoxy-2H-triazole-4-carboxamide
SMILESCONC(=O)c1cn[nH]n1
InChIInChI=1S/C4H6N4O2/c1-10-7-4(9)3-2-5-8-6-3/h2H,1H3,(H,7,9)(H,5,6,8)
InChIKeyCZTYAEQPHXEKOL-UHFFFAOYSA-N
XLogP-0.90
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-2H-triazole-4-carboxamide?
The IUPAC name of N-methoxy-2H-triazole-4-carboxamide (CID 61071492) is N-methoxy-2H-triazole-4-carboxamide.
What is the SMILES notation for N-methoxy-2H-triazole-4-carboxamide?
The canonical SMILES for N-methoxy-2H-triazole-4-carboxamide is CONC(=O)c1cn[nH]n1.
What is the InChIKey of N-methoxy-2H-triazole-4-carboxamide?
The InChIKey is CZTYAEQPHXEKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c1-10-7-4(9)3-2-5-8-6-3/h2H,1H3,(H,7,9)(H,5,6,8).
What are the key properties of N-methoxy-2H-triazole-4-carboxamide?
N-methoxy-2H-triazole-4-carboxamide has a molecular weight of 142.12 g/mol, XLogP of -0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2H-triazole-4-carboxamide is sourced from PubChem (CID 61071492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).