N-ethyl-N-prop-2-ynyl-2-(1,2,4-triazol-1-yl)propanamide

C10H14N4O — CID 78957977

IUPACN-ethyl-N-prop-2-ynyl-2-(1,2,4-triazol-1-yl)propanamide
SMILESC#CCN(CC)C(=O)C(C)n1cncn1
InChIInChI=1S/C10H14N4O/c1-4-6-13(5-2)10(15)9(3)14-8-11-7-12-14/h1,7-9H,5-6H2,2-3H3
InChIKeyFEKOXHFRWMHTEW-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.32
Rot. Bonds4

About N-ethyl-N-prop-2-ynyl-2-(1,2,4-triazol-1-yl)propanamide

N-ethyl-N-prop-2-ynyl-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 78957977) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is N-ethyl-N-prop-2-ynyl-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-prop-2-ynyl-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID78957977
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC NameN-ethyl-N-prop-2-ynyl-2-(1,2,4-triazol-1-yl)propanamide
SMILESC#CCN(CC)C(=O)C(C)n1cncn1
InChIInChI=1S/C10H14N4O/c1-4-6-13(5-2)10(15)9(3)14-8-11-7-12-14/h1,7-9H,5-6H2,2-3H3
InChIKeyFEKOXHFRWMHTEW-UHFFFAOYSA-N
XLogP0.32
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-prop-2-ynyl-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-ethyl-N-prop-2-ynyl-2-(1,2,4-triazol-1-yl)propanamide (CID 78957977) is N-ethyl-N-prop-2-ynyl-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-ethyl-N-prop-2-ynyl-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-ethyl-N-prop-2-ynyl-2-(1,2,4-triazol-1-yl)propanamide is C#CCN(CC)C(=O)C(C)n1cncn1.
What is the InChIKey of N-ethyl-N-prop-2-ynyl-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is FEKOXHFRWMHTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-4-6-13(5-2)10(15)9(3)14-8-11-7-12-14/h1,7-9H,5-6H2,2-3H3.
What are the key properties of N-ethyl-N-prop-2-ynyl-2-(1,2,4-triazol-1-yl)propanamide?
N-ethyl-N-prop-2-ynyl-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 206.25 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-prop-2-ynyl-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 78957977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).