3-(ethylamino)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide

C15H21N5O — CID 62837372

IUPAC3-(ethylamino)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
SMILESCCNC(C)CC(=O)Nc1cccc(-c2nncn2C)c1
InChIInChI=1S/C15H21N5O/c1-4-16-11(2)8-14(21)18-13-7-5-6-12(9-13)15-19-17-10-20(15)3/h5-7,9-11,16H,4,8H2,1-3H3,(H,18,21)
InChIKeyQJTBBNYMVBBPGH-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.81
Rot. Bonds6

About 3-(ethylamino)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide

3-(ethylamino)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide (PubChem CID 62837372) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-(ethylamino)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
PubChem CID62837372
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-(ethylamino)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
SMILESCCNC(C)CC(=O)Nc1cccc(-c2nncn2C)c1
InChIInChI=1S/C15H21N5O/c1-4-16-11(2)8-14(21)18-13-7-5-6-12(9-13)15-19-17-10-20(15)3/h5-7,9-11,16H,4,8H2,1-3H3,(H,18,21)
InChIKeyQJTBBNYMVBBPGH-UHFFFAOYSA-N
XLogP1.81
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(ethylamino)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 62839702
4-hydroxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 79204969
4-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide;hydrochloride
CID 120560585
2-bromo-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 114014321
2-bromo-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 55125969
2-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride
CID 119293663
4-amino-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 80542568
(2R)-2-amino-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 104902677
4-tert-butyl-N-[2-[3-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]benzamide
CID 38313833
3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 62838310
N-(3-bromophenyl)-3-(ethylamino)butanamide
CID 62838058
2-(4-fluorophenoxy)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 39263320

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide?
The IUPAC name of 3-(ethylamino)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide (CID 62837372) is 3-(ethylamino)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide.
What is the SMILES notation for 3-(ethylamino)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide?
The canonical SMILES for 3-(ethylamino)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide is CCNC(C)CC(=O)Nc1cccc(-c2nncn2C)c1.
What is the InChIKey of 3-(ethylamino)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide?
The InChIKey is QJTBBNYMVBBPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-4-16-11(2)8-14(21)18-13-7-5-6-12(9-13)15-19-17-10-20(15)3/h5-7,9-11,16H,4,8H2,1-3H3,(H,18,21).
What are the key properties of 3-(ethylamino)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide?
3-(ethylamino)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide has a molecular weight of 287.37 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide is sourced from PubChem (CID 62837372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).