1-[3-[5-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine

C24H25N5O — CID 21180265

IUPAC1-[3-[5-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine
SMILESCOc1ccc(-c2nc(-c3cccc(CN(C)C)c3)n(Cc3ccncc3)n2)cc1
InChIInChI=1S/C24H25N5O/c1-28(2)16-19-5-4-6-21(15-19)24-26-23(20-7-9-22(30-3)10-8-20)27-29(24)17-18-11-13-25-14-12-18/h4-15H,16-17H2,1-3H3
InChIKeyILUUAXPFACWEAA-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.13
Rot. Bonds7

About 1-[3-[5-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine

1-[3-[5-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine (PubChem CID 21180265) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 1-[3-[5-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-[5-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine
PubChem CID21180265
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name1-[3-[5-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine
SMILESCOc1ccc(-c2nc(-c3cccc(CN(C)C)c3)n(Cc3ccncc3)n2)cc1
InChIInChI=1S/C24H25N5O/c1-28(2)16-19-5-4-6-21(15-19)24-26-23(20-7-9-22(30-3)10-8-20)27-29(24)17-18-11-13-25-14-12-18/h4-15H,16-17H2,1-3H3
InChIKeyILUUAXPFACWEAA-UHFFFAOYSA-N
XLogP4.13
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-[5-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

1-[3-[5-(4-methoxyphenyl)-1-prop-2-ynyl-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine
CID 21180455
2-[3-[3-[(dimethylamino)methyl]phenyl]-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]acetic acid;hydrochloride
CID 159181551
3-[2-(2,2-difluoroethyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzaldehyde
CID 21180395
N-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]-N-methylethanamine
CID 21180315
1-[[3-(4-methoxyphenyl)phenyl]methyl]-1,2,4-triazole
CID 23585516
2-[1-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]pyrazine
CID 10830124
N-methyl-1-(4-methylphenyl)-N-[(3-pyridin-4-ylphenyl)methyl]methanamine
CID 90708828
2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole
CID 11645597
4-[1-[(3-chlorophenyl)methyl]-5-[1-(methoxymethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridine
CID 72875840
8-[4-[5-naphthalen-2-yl-1-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]phenyl]quinoline
CID 163886694
3-[1-(2,2-difluoroethyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzaldehyde
CID 21180361
4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
CID 19586223

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-[5-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine (CID 21180265) is 1-[3-[5-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-[5-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-[5-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine is COc1ccc(-c2nc(-c3cccc(CN(C)C)c3)n(Cc3ccncc3)n2)cc1.
What is the InChIKey of 1-[3-[5-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is ILUUAXPFACWEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-28(2)16-19-5-4-6-21(15-19)24-26-23(20-7-9-22(30-3)10-8-20)27-29(24)17-18-11-13-25-14-12-18/h4-15H,16-17H2,1-3H3.
What are the key properties of 1-[3-[5-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine?
1-[3-[5-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 399.50 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 21180265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).