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

C15H21N5O — CID 62839702

IUPAC3-(ethylamino)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
SMILESCCNC(C)CC(=O)Nc1ccc(-c2nncn2C)cc1
InChIInChI=1S/C15H21N5O/c1-4-16-11(2)9-14(21)18-13-7-5-12(6-8-13)15-19-17-10-20(15)3/h5-8,10-11,16H,4,9H2,1-3H3,(H,18,21)
InChIKeyVDZAHFQDWPWGHH-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.81
Rot. Bonds6

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

3-(ethylamino)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide (PubChem CID 62839702) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-(ethylamino)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
PubChem CID62839702
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-(ethylamino)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
SMILESCCNC(C)CC(=O)Nc1ccc(-c2nncn2C)cc1
InChIInChI=1S/C15H21N5O/c1-4-16-11(2)9-14(21)18-13-7-5-12(6-8-13)15-19-17-10-20(15)3/h5-8,10-11,16H,4,9H2,1-3H3,(H,18,21)
InChIKeyVDZAHFQDWPWGHH-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-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 62837372
2-amino-N-[2-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]acetamide
CID 60848681
N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79286471
(2R)-2-amino-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 107568474
(2R)-2-amino-3,3-dimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 103928696
3-(ethylamino)-N-(4-propan-2-yloxyphenyl)butanamide
CID 62838247
4-[3-(ethylamino)butanoylamino]-N-methylbenzamide
CID 62837204
3-[4-[3-(ethylamino)butanoylamino]phenyl]butanoic acid
CID 104503048
N-(4-bromo-3-methylphenyl)-3-(ethylamino)butanamide
CID 62838768
N-[4-[3-(ethylamino)butanoylamino]phenyl]cyclopropanecarboxamide
CID 62839619
4-[3-(ethylamino)butanoylamino]-N-propan-2-ylbenzamide
CID 62838667
3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]butanamide
CID 62837414

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide?
The IUPAC name of 3-(ethylamino)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide (CID 62839702) is 3-(ethylamino)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide.
What is the SMILES notation for 3-(ethylamino)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide?
The canonical SMILES for 3-(ethylamino)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide is CCNC(C)CC(=O)Nc1ccc(-c2nncn2C)cc1.
What is the InChIKey of 3-(ethylamino)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide?
The InChIKey is VDZAHFQDWPWGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-4-16-11(2)9-14(21)18-13-7-5-12(6-8-13)15-19-17-10-20(15)3/h5-8,10-11,16H,4,9H2,1-3H3,(H,18,21).
What are the key properties of 3-(ethylamino)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide?
3-(ethylamino)-N-[4-(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-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide is sourced from PubChem (CID 62839702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).