3-(ethylamino)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide

C15H21N5O — CID 62853447

IUPAC3-(ethylamino)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
SMILESCCNCC(C)C(=O)Nc1cccc(Cn2cncn2)c1
InChIInChI=1S/C15H21N5O/c1-3-16-8-12(2)15(21)19-14-6-4-5-13(7-14)9-20-11-17-10-18-20/h4-7,10-12,16H,3,8-9H2,1-2H3,(H,19,21)
InChIKeyHFWUPXQIZDBJET-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.51
Rot. Bonds7

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

3-(ethylamino)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide (PubChem CID 62853447) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-(ethylamino)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(ethylamino)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
PubChem CID62853447
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-(ethylamino)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
SMILESCCNCC(C)C(=O)Nc1cccc(Cn2cncn2)c1
InChIInChI=1S/C15H21N5O/c1-3-16-8-12(2)15(21)19-14-6-4-5-13(7-14)9-20-11-17-10-18-20/h4-7,10-12,16H,3,8-9H2,1-2H3,(H,19,21)
InChIKeyHFWUPXQIZDBJET-UHFFFAOYSA-N
XLogP1.51
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 62851988
2-bromo-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 107904129
2-amino-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119852264
(2S)-2-amino-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide
CID 79024231
1-propan-2-yl-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]urea
CID 47307477
4-hydroxy-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide
CID 79205206
2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 61034736
N-[3-(ethylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 43601183
(2S)-N-(3-acetylphenyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 42563471
N-(3-acetamidophenyl)-3-(ethylamino)-2-methylpropanamide
CID 62851264
N-(4-methylpentan-2-yl)-3-(1,2,4-triazol-1-ylmethyl)aniline
CID 54866327
N-(5-methylheptan-3-yl)-3-(1,2,4-triazol-1-ylmethyl)aniline
CID 60931153

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-(ethylamino)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide (CID 62853447) is 3-(ethylamino)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(ethylamino)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(ethylamino)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide is CCNCC(C)C(=O)Nc1cccc(Cn2cncn2)c1.
What is the InChIKey of 3-(ethylamino)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is HFWUPXQIZDBJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-16-8-12(2)15(21)19-14-6-4-5-13(7-14)9-20-11-17-10-18-20/h4-7,10-12,16H,3,8-9H2,1-2H3,(H,19,21).
What are the key properties of 3-(ethylamino)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
3-(ethylamino)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 287.37 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 62853447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).