N-[2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]propanamide

C15H20N4O — CID 46354885

IUPACN-[2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1n[nH]c(Cc2cccc(C)c2)n1
InChIInChI=1S/C15H20N4O/c1-3-15(20)16-8-7-13-17-14(19-18-13)10-12-6-4-5-11(2)9-12/h4-6,9H,3,7-8,10H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyNSOYQOMVUDCVBF-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.77
Rot. Bonds6

About N-[2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]propanamide

N-[2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]propanamide (PubChem CID 46354885) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]propanamide
PubChem CID46354885
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1n[nH]c(Cc2cccc(C)c2)n1
InChIInChI=1S/C15H20N4O/c1-3-15(20)16-8-7-13-17-14(19-18-13)10-12-6-4-5-11(2)9-12/h4-6,9H,3,7-8,10H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyNSOYQOMVUDCVBF-UHFFFAOYSA-N
XLogP1.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-[2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
CID 53090497
3-methyl-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]benzamide
CID 53008599
1-[2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46354937
3,4-dimethyl-N-[2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
CID 53090476
4-methoxy-N-[2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
CID 53090454
N-(furan-2-ylmethyl)-2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 53168854
2,5-dimethoxy-N-[2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
CID 53090469
3-methyl-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
CID 53090383
2-(3,4-dimethoxyphenyl)-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]acetamide
CID 53008595
5-[(3-methylphenyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 90351403
1-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-3-phenylurea
CID 46354901
N-[2-(4-fluorophenyl)ethyl]-2-(3-methylphenyl)acetamide
CID 6468714

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]propanamide?
The IUPAC name of N-[2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]propanamide (CID 46354885) is N-[2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]propanamide is CCC(=O)NCCc1n[nH]c(Cc2cccc(C)c2)n1.
What is the InChIKey of N-[2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]propanamide?
The InChIKey is NSOYQOMVUDCVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-15(20)16-8-7-13-17-14(19-18-13)10-12-6-4-5-11(2)9-12/h4-6,9H,3,7-8,10H2,1-2H3,(H,16,20)(H,17,18,19).
What are the key properties of N-[2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]propanamide?
N-[2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]propanamide has a molecular weight of 272.35 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]propanamide is sourced from PubChem (CID 46354885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).