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

C13H18N4 — CID 55108086

IUPAC4-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]aniline
SMILESCCCn1cnnc1CNc1ccc(C)cc1
InChIInChI=1S/C13H18N4/c1-3-8-17-10-15-16-13(17)9-14-12-6-4-11(2)5-7-12/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyMCUUPXIRHIVFJM-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.61
Rot. Bonds5

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

4-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]aniline (PubChem CID 55108086) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]aniline
PubChem CID55108086
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name4-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]aniline
SMILESCCCn1cnnc1CNc1ccc(C)cc1
InChIInChI=1S/C13H18N4/c1-3-8-17-10-15-16-13(17)9-14-12-6-4-11(2)5-7-12/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyMCUUPXIRHIVFJM-UHFFFAOYSA-N
XLogP2.61
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-ethyl-2-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 50953787
4-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]benzenecarbothioamide
CID 106303016
1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylbenzene-1,3-diamine
CID 106302029
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine
CID 62694664
2-[(4-methylphenoxy)methyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide
CID 135106836
4-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]aniline
CID 62042167
4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
CID 3313778
3-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]aniline
CID 62691967
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 103777529
4-methyl-2-(4-propyl-1,2,4-triazol-3-yl)aniline
CID 62694681
2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 62694477
N-methyl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62692198

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]aniline?
The IUPAC name of 4-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]aniline (CID 55108086) is 4-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]aniline.
What is the SMILES notation for 4-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]aniline?
The canonical SMILES for 4-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]aniline is CCCn1cnnc1CNc1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]aniline?
The InChIKey is MCUUPXIRHIVFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-8-17-10-15-16-13(17)9-14-12-6-4-11(2)5-7-12/h4-7,10,14H,3,8-9H2,1-2H3.
What are the key properties of 4-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]aniline?
4-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]aniline has a molecular weight of 230.31 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]aniline is sourced from PubChem (CID 55108086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).