N,N-diethyl-2-(1,2,4-triazol-1-yl)propanamide

C9H16N4O — CID 13036598

IUPACN,N-diethyl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCN(CC)C(=O)C(C)n1cncn1
InChIInChI=1S/C9H16N4O/c1-4-12(5-2)9(14)8(3)13-7-10-6-11-13/h6-8H,4-5H2,1-3H3
InChIKeyWEMQLFYUDFKUIA-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.71
Rot. Bonds4

About N,N-diethyl-2-(1,2,4-triazol-1-yl)propanamide

N,N-diethyl-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 13036598) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N,N-diethyl-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID13036598
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN,N-diethyl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCN(CC)C(=O)C(C)n1cncn1
InChIInChI=1S/C9H16N4O/c1-4-12(5-2)9(14)8(3)13-7-10-6-11-13/h6-8H,4-5H2,1-3H3
InChIKeyWEMQLFYUDFKUIA-UHFFFAOYSA-N
XLogP0.71
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N,N-diethyl-2-(1,2,4-triazol-1-yl)propanamide (CID 13036598) is N,N-diethyl-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N,N-diethyl-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N,N-diethyl-2-(1,2,4-triazol-1-yl)propanamide is CCN(CC)C(=O)C(C)n1cncn1.
What is the InChIKey of N,N-diethyl-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is WEMQLFYUDFKUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-4-12(5-2)9(14)8(3)13-7-10-6-11-13/h6-8H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-(1,2,4-triazol-1-yl)propanamide?
N,N-diethyl-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 196.25 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 13036598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).