N-butyl-N-ethyl-3-(triazol-1-yl)propanamide

C11H20N4O — CID 177170539

IUPACN-butyl-N-ethyl-3-(triazol-1-yl)propanamide
SMILESCCCCN(CC)C(=O)CCn1ccnn1
InChIInChI=1S/C11H20N4O/c1-3-5-8-14(4-2)11(16)6-9-15-10-7-12-13-15/h7,10H,3-6,8-9H2,1-2H3
InChIKeyUKOZDZOSRWDSBF-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.32
Rot. Bonds7

About N-butyl-N-ethyl-3-(triazol-1-yl)propanamide

N-butyl-N-ethyl-3-(triazol-1-yl)propanamide (PubChem CID 177170539) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-butyl-N-ethyl-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-3-(triazol-1-yl)propanamide
PubChem CID177170539
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-butyl-N-ethyl-3-(triazol-1-yl)propanamide
SMILESCCCCN(CC)C(=O)CCn1ccnn1
InChIInChI=1S/C11H20N4O/c1-3-5-8-14(4-2)11(16)6-9-15-10-7-12-13-15/h7,10H,3-6,8-9H2,1-2H3
InChIKeyUKOZDZOSRWDSBF-UHFFFAOYSA-N
XLogP1.32
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-3-(triazol-1-yl)propanamide?
The IUPAC name of N-butyl-N-ethyl-3-(triazol-1-yl)propanamide (CID 177170539) is N-butyl-N-ethyl-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-butyl-N-ethyl-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-butyl-N-ethyl-3-(triazol-1-yl)propanamide is CCCCN(CC)C(=O)CCn1ccnn1.
What is the InChIKey of N-butyl-N-ethyl-3-(triazol-1-yl)propanamide?
The InChIKey is UKOZDZOSRWDSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-5-8-14(4-2)11(16)6-9-15-10-7-12-13-15/h7,10H,3-6,8-9H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-3-(triazol-1-yl)propanamide?
N-butyl-N-ethyl-3-(triazol-1-yl)propanamide has a molecular weight of 224.31 g/mol, XLogP of 1.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 177170539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).