1-[3-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylphenyl]-N-methylmethanamine

C15H22N4 — CID 105406400

IUPAC1-[3-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylphenyl]-N-methylmethanamine
SMILESCCc1nc(CC)n(-c2cc(CNC)ccc2C)n1
InChIInChI=1S/C15H22N4/c1-5-14-17-15(6-2)19(18-14)13-9-12(10-16-4)8-7-11(13)3/h7-9,16H,5-6,10H2,1-4H3
InChIKeyXSLORVOKQSPWFZ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.42
Rot. Bonds5

About 1-[3-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylphenyl]-N-methylmethanamine

1-[3-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylphenyl]-N-methylmethanamine (PubChem CID 105406400) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-[3-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylphenyl]-N-methylmethanamine
PubChem CID105406400
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-[3-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylphenyl]-N-methylmethanamine
SMILESCCc1nc(CC)n(-c2cc(CNC)ccc2C)n1
InChIInChI=1S/C15H22N4/c1-5-14-17-15(6-2)19(18-14)13-9-12(10-16-4)8-7-11(13)3/h7-9,16H,5-6,10H2,1-4H3
InChIKeyXSLORVOKQSPWFZ-UHFFFAOYSA-N
XLogP2.42
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(chloromethyl)-2-methylphenyl]-3,5-diethyl-1,2,4-triazole
CID 105405945
1-[2-bromo-4-(chloromethyl)phenyl]-3,5-diethyl-1,2,4-triazole
CID 114062595
1-[4-(bromomethyl)-2-chlorophenyl]-3,5-diethyl-1,2,4-triazole
CID 107086234
2-(3,5-diethyl-1,2,4-triazol-1-yl)-5-methylbenzaldehyde
CID 114054285
1-[4-(3,5-dimethylpyrazol-1-yl)-3-methylphenyl]-N-methylmethanamine
CID 62123849
N-methyl-1-[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 105406249
4-amino-3-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylbenzenesulfonamide
CID 82903043
6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyridin-2-amine
CID 80868281
3-[4-(3,5-diethyl-1,2,4-triazol-1-yl)-3-methylphenyl]prop-2-enoic acid
CID 77098998
2-(3,5-diethyl-1,2,4-triazol-1-yl)-4,6-difluoroaniline
CID 113325375
(1R)-1-[2-(3,5-diethyl-1,2,4-triazol-1-yl)phenyl]ethanol
CID 79013978
1-[5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107557879

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylphenyl]-N-methylmethanamine (CID 105406400) is 1-[3-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylphenyl]-N-methylmethanamine is CCc1nc(CC)n(-c2cc(CNC)ccc2C)n1.
What is the InChIKey of 1-[3-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylphenyl]-N-methylmethanamine?
The InChIKey is XSLORVOKQSPWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-5-14-17-15(6-2)19(18-14)13-9-12(10-16-4)8-7-11(13)3/h7-9,16H,5-6,10H2,1-4H3.
What are the key properties of 1-[3-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylphenyl]-N-methylmethanamine?
1-[3-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylphenyl]-N-methylmethanamine has a molecular weight of 258.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 105406400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).