N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]pentanamide

C17H24N4O3 — CID 121078640

IUPACN-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]pentanamide
SMILESCCCCC(=O)NCCn1nc(-c2ccc(OC)cc2)n(C)c1=O
InChIInChI=1S/C17H24N4O3/c1-4-5-6-15(22)18-11-12-21-17(23)20(2)16(19-21)13-7-9-14(24-3)10-8-13/h7-10H,4-6,11-12H2,1-3H3,(H,18,22)
InChIKeyYYHAFGJQDKJICK-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.56
Rot. Bonds8

About N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]pentanamide

N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]pentanamide (PubChem CID 121078640) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]pentanamide
PubChem CID121078640
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]pentanamide
SMILESCCCCC(=O)NCCn1nc(-c2ccc(OC)cc2)n(C)c1=O
InChIInChI=1S/C17H24N4O3/c1-4-5-6-15(22)18-11-12-21-17(23)20(2)16(19-21)13-7-9-14(24-3)10-8-13/h7-10H,4-6,11-12H2,1-3H3,(H,18,22)
InChIKeyYYHAFGJQDKJICK-UHFFFAOYSA-N
XLogP1.56
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]acetamide
CID 121078641
(E)-N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-phenylprop-2-enamide
CID 121078617
3,4-difluoro-N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]benzamide
CID 121078621
1-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 121078039
N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 121078614
1-[2-(dimethylsulfamoylamino)ethyl]-3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole
CID 121077928
N-butyl-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 71830851
2-(4-chlorophenoxy)-N-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]acetamide
CID 121078498
1-ethyl-3-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]urea
CID 121078031
N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-2,5-dimethylbenzenesulfonamide
CID 121077844
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 41240937
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide
CID 71782926

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]pentanamide?
The IUPAC name of N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]pentanamide (CID 121078640) is N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]pentanamide.
What is the SMILES notation for N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]pentanamide?
The canonical SMILES for N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]pentanamide is CCCCC(=O)NCCn1nc(-c2ccc(OC)cc2)n(C)c1=O.
What is the InChIKey of N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]pentanamide?
The InChIKey is YYHAFGJQDKJICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-4-5-6-15(22)18-11-12-21-17(23)20(2)16(19-21)13-7-9-14(24-3)10-8-13/h7-10H,4-6,11-12H2,1-3H3,(H,18,22).
What are the key properties of N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]pentanamide?
N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]pentanamide has a molecular weight of 332.40 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]pentanamide is sourced from PubChem (CID 121078640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).