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

C5H8N4O2 — CID 61071296

IUPACN-methoxy-N-methyl-2H-triazole-4-carboxamide
SMILESCON(C)C(=O)c1cn[nH]n1
InChIInChI=1S/C5H8N4O2/c1-9(11-2)5(10)4-3-6-8-7-4/h3H,1-2H3,(H,6,7,8)
InChIKeyMMMXZVIXDYUCOJ-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.56
Rot. Bonds2

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

N-methoxy-N-methyl-2H-triazole-4-carboxamide (PubChem CID 61071296) has the molecular formula C5H8N4O2 and a molecular weight of 156.14 g/mol. Its IUPAC name is N-methoxy-N-methyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2H-triazole-4-carboxamide
PubChem CID61071296
Molecular FormulaC5H8N4O2
Molecular Weight156.14 g/mol
Exact Mass156.06
IUPAC NameN-methoxy-N-methyl-2H-triazole-4-carboxamide
SMILESCON(C)C(=O)c1cn[nH]n1
InChIInChI=1S/C5H8N4O2/c1-9(11-2)5(10)4-3-6-8-7-4/h3H,1-2H3,(H,6,7,8)
InChIKeyMMMXZVIXDYUCOJ-UHFFFAOYSA-N
XLogP-0.56
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
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-N-methyl-2H-triazole-4-carboxamide?
The IUPAC name of N-methoxy-N-methyl-2H-triazole-4-carboxamide (CID 61071296) is N-methoxy-N-methyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-2H-triazole-4-carboxamide is CON(C)C(=O)c1cn[nH]n1.
What is the InChIKey of N-methoxy-N-methyl-2H-triazole-4-carboxamide?
The InChIKey is MMMXZVIXDYUCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-9(11-2)5(10)4-3-6-8-7-4/h3H,1-2H3,(H,6,7,8).
What are the key properties of N-methoxy-N-methyl-2H-triazole-4-carboxamide?
N-methoxy-N-methyl-2H-triazole-4-carboxamide has a molecular weight of 156.14 g/mol, XLogP of -0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 61071296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).