2-ethyl-N-methoxytriazole-4-carboxamide

C6H10N4O2 — CID 130657611

IUPAC2-ethyl-N-methoxytriazole-4-carboxamide
SMILESCCn1ncc(C(=O)NOC)n1
InChIInChI=1S/C6H10N4O2/c1-3-10-7-4-5(8-10)6(11)9-12-2/h4H,3H2,1-2H3,(H,9,11)
InChIKeyKTKBBLUEFLTSOX-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.41
Rot. Bonds3

About 2-ethyl-N-methoxytriazole-4-carboxamide

2-ethyl-N-methoxytriazole-4-carboxamide (PubChem CID 130657611) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-ethyl-N-methoxytriazole-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-methoxytriazole-4-carboxamide
PubChem CID130657611
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name2-ethyl-N-methoxytriazole-4-carboxamide
SMILESCCn1ncc(C(=O)NOC)n1
InChIInChI=1S/C6H10N4O2/c1-3-10-7-4-5(8-10)6(11)9-12-2/h4H,3H2,1-2H3,(H,9,11)
InChIKeyKTKBBLUEFLTSOX-UHFFFAOYSA-N
XLogP-0.41
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.41
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 2-ethyl-N-methoxytriazole-4-carboxamide?
The IUPAC name of 2-ethyl-N-methoxytriazole-4-carboxamide (CID 130657611) is 2-ethyl-N-methoxytriazole-4-carboxamide.
What is the SMILES notation for 2-ethyl-N-methoxytriazole-4-carboxamide?
The canonical SMILES for 2-ethyl-N-methoxytriazole-4-carboxamide is CCn1ncc(C(=O)NOC)n1.
What is the InChIKey of 2-ethyl-N-methoxytriazole-4-carboxamide?
The InChIKey is KTKBBLUEFLTSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-3-10-7-4-5(8-10)6(11)9-12-2/h4H,3H2,1-2H3,(H,9,11).
What are the key properties of 2-ethyl-N-methoxytriazole-4-carboxamide?
2-ethyl-N-methoxytriazole-4-carboxamide has a molecular weight of 170.17 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methoxytriazole-4-carboxamide is sourced from PubChem (CID 130657611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).