N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-propylbenzamide

C15H20N4O — CID 47403301

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NC(C)c2nncn2C)cc1
InChIInChI=1S/C15H20N4O/c1-4-5-12-6-8-13(9-7-12)15(20)17-11(2)14-18-16-10-19(14)3/h6-11H,4-5H2,1-3H3,(H,17,20)
InChIKeyHTMDRBMZCHHCGL-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.26
Rot. Bonds5

About N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-propylbenzamide

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-propylbenzamide (PubChem CID 47403301) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-propylbenzamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-propylbenzamide
PubChem CID47403301
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NC(C)c2nncn2C)cc1
InChIInChI=1S/C15H20N4O/c1-4-5-12-6-8-13(9-7-12)15(20)17-11(2)14-18-16-10-19(14)3/h6-11H,4-5H2,1-3H3,(H,17,20)
InChIKeyHTMDRBMZCHHCGL-UHFFFAOYSA-N
XLogP2.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 102851127
4-N-tert-butyl-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 51093781
4-(2-hydroxyethylsulfanyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 90648440
3-chloro-4-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62117193
3-amino-4-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62119351
5-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide
CID 104640412
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide
CID 62906671
1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 95192101
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-sulfanylidenepropanamide
CID 62117174
2-(ethylamino)-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 62833078
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]benzoic acid
CID 60941368
3-amino-5-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 81094398

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-propylbenzamide?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-propylbenzamide (CID 47403301) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-propylbenzamide.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-propylbenzamide?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-propylbenzamide is CCCc1ccc(C(=O)NC(C)c2nncn2C)cc1.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-propylbenzamide?
The InChIKey is HTMDRBMZCHHCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-5-12-6-8-13(9-7-12)15(20)17-11(2)14-18-16-10-19(14)3/h6-11H,4-5H2,1-3H3,(H,17,20).
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-propylbenzamide?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-propylbenzamide has a molecular weight of 272.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-propylbenzamide is sourced from PubChem (CID 47403301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).