3-(ethylamino)-N-[4-(triazol-2-yl)phenyl]propanamide

C13H17N5O — CID 62832692

IUPAC3-(ethylamino)-N-[4-(triazol-2-yl)phenyl]propanamide
SMILESCCNCCC(=O)Nc1ccc(-n2nccn2)cc1
InChIInChI=1S/C13H17N5O/c1-2-14-8-7-13(19)17-11-3-5-12(6-4-11)18-15-9-10-16-18/h3-6,9-10,14H,2,7-8H2,1H3,(H,17,19)
InChIKeyJLDCZMCBUOMCOE-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.21
Rot. Bonds6

About 3-(ethylamino)-N-[4-(triazol-2-yl)phenyl]propanamide

3-(ethylamino)-N-[4-(triazol-2-yl)phenyl]propanamide (PubChem CID 62832692) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(ethylamino)-N-[4-(triazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[4-(triazol-2-yl)phenyl]propanamide
PubChem CID62832692
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name3-(ethylamino)-N-[4-(triazol-2-yl)phenyl]propanamide
SMILESCCNCCC(=O)Nc1ccc(-n2nccn2)cc1
InChIInChI=1S/C13H17N5O/c1-2-14-8-7-13(19)17-11-3-5-12(6-4-11)18-15-9-10-16-18/h3-6,9-10,14H,2,7-8H2,1H3,(H,17,19)
InChIKeyJLDCZMCBUOMCOE-UHFFFAOYSA-N
XLogP1.21
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(ethylamino)-2-methyl-N-[4-(triazol-2-yl)phenyl]propanamide
CID 62853616
3-(ethylamino)-N-(4-fluorophenyl)propanamide
CID 62832288
methyl N-[4-[3-(ethylamino)propanoylamino]phenyl]carbamate
CID 62831983
N-[4-(dimethylamino)phenyl]-3-(ethylamino)propanamide
CID 62832499
3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide
CID 62832323
2-[4-[3-(ethylamino)propanoylamino]phenyl]acetic acid
CID 62835723
(2S)-2-amino-N-[4-(triazol-2-yl)phenyl]butanamide
CID 79025065
N-[4-[(dimethylamino)methyl]phenyl]-3-(ethylamino)propanamide
CID 62833947
1-tert-butyl-3-[4-(triazol-2-yl)phenyl]urea
CID 78896659
3-(ethylamino)-N-(3-imidazol-1-ylphenyl)propanamide
CID 55121130
4-[3-(ethylamino)propanoylamino]-N-(2-hydroxyethyl)benzamide
CID 62833618
(2R)-2-amino-N-[4-(triazol-2-yl)phenyl]pentanamide
CID 103795568

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[4-(triazol-2-yl)phenyl]propanamide?
The IUPAC name of 3-(ethylamino)-N-[4-(triazol-2-yl)phenyl]propanamide (CID 62832692) is 3-(ethylamino)-N-[4-(triazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-(ethylamino)-N-[4-(triazol-2-yl)phenyl]propanamide?
The canonical SMILES for 3-(ethylamino)-N-[4-(triazol-2-yl)phenyl]propanamide is CCNCCC(=O)Nc1ccc(-n2nccn2)cc1.
What is the InChIKey of 3-(ethylamino)-N-[4-(triazol-2-yl)phenyl]propanamide?
The InChIKey is JLDCZMCBUOMCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-14-8-7-13(19)17-11-3-5-12(6-4-11)18-15-9-10-16-18/h3-6,9-10,14H,2,7-8H2,1H3,(H,17,19).
What are the key properties of 3-(ethylamino)-N-[4-(triazol-2-yl)phenyl]propanamide?
3-(ethylamino)-N-[4-(triazol-2-yl)phenyl]propanamide has a molecular weight of 259.31 g/mol, XLogP of 1.21, 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-(triazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 62832692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).