4-methyl-N-[2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)ethyl]aniline

C15H22N4 — CID 62722497

IUPAC4-methyl-N-[2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)ethyl]aniline
SMILESCCCc1nc(CCNc2ccc(C)cc2)n(C)n1
InChIInChI=1S/C15H22N4/c1-4-5-14-17-15(19(3)18-14)10-11-16-13-8-6-12(2)7-9-13/h6-9,16H,4-5,10-11H2,1-3H3
InChIKeyTWQDMLOCGJZQFR-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.73
Rot. Bonds6

About 4-methyl-N-[2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)ethyl]aniline

4-methyl-N-[2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)ethyl]aniline (PubChem CID 62722497) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)ethyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)ethyl]aniline
PubChem CID62722497
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-methyl-N-[2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)ethyl]aniline
SMILESCCCc1nc(CCNc2ccc(C)cc2)n(C)n1
InChIInChI=1S/C15H22N4/c1-4-5-14-17-15(19(3)18-14)10-11-16-13-8-6-12(2)7-9-13/h6-9,16H,4-5,10-11H2,1-3H3
InChIKeyTWQDMLOCGJZQFR-UHFFFAOYSA-N
XLogP2.73
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]aniline
CID 62722337
3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine
CID 62720337
N-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine
CID 62721404
2-[1-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanamine
CID 98017069
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-4-methylaniline
CID 62566821
4-methyl-N-octylaniline
CID 11816856
3-[4-(4-tert-butylphenyl)phenyl]-1-methyl-5-propyl-1,2,4-triazole
CID 140771991
4-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]aniline
CID 55108086
5-[3-[3-(4-tert-butylphenyl)-5-(4-methylphenyl)phenyl]phenyl]-1-methyl-3-propyl-1,2,4-triazole
CID 145332585
N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]aniline
CID 63104702
1-[2-(4-methylanilino)ethyl]-3-propylimidazol-2-one
CID 80582385
1-methyl-5-phenyl-3-propyl-1,2,4-triazole;ruthenium(3+)
CID 160958444

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)ethyl]aniline?
The IUPAC name of 4-methyl-N-[2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)ethyl]aniline (CID 62722497) is 4-methyl-N-[2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)ethyl]aniline.
What is the SMILES notation for 4-methyl-N-[2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)ethyl]aniline?
The canonical SMILES for 4-methyl-N-[2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)ethyl]aniline is CCCc1nc(CCNc2ccc(C)cc2)n(C)n1.
What is the InChIKey of 4-methyl-N-[2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)ethyl]aniline?
The InChIKey is TWQDMLOCGJZQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-5-14-17-15(19(3)18-14)10-11-16-13-8-6-12(2)7-9-13/h6-9,16H,4-5,10-11H2,1-3H3.
What are the key properties of 4-methyl-N-[2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)ethyl]aniline?
4-methyl-N-[2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)ethyl]aniline has a molecular weight of 258.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)ethyl]aniline is sourced from PubChem (CID 62722497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).