3-[2-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-4-pyridinyl]-N,N-dimethylaniline

C19H23N5O — CID 134808866

IUPAC3-[2-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-4-pyridinyl]-N,N-dimethylaniline
SMILESCOCCn1c(C)nnc1-c1cc(-c2cccc(N(C)C)c2)ccn1
InChIInChI=1S/C19H23N5O/c1-14-21-22-19(24(14)10-11-25-4)18-13-16(8-9-20-18)15-6-5-7-17(12-15)23(2)3/h5-9,12-13H,10-11H2,1-4H3
InChIKeyKJMVQWLKPRQWGL-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.03
Rot. Bonds6

About 3-[2-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-4-pyridinyl]-N,N-dimethylaniline

3-[2-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-4-pyridinyl]-N,N-dimethylaniline (PubChem CID 134808866) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-[2-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-4-pyridinyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[2-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-4-pyridinyl]-N,N-dimethylaniline
PubChem CID134808866
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name3-[2-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-4-pyridinyl]-N,N-dimethylaniline
SMILESCOCCn1c(C)nnc1-c1cc(-c2cccc(N(C)C)c2)ccn1
InChIInChI=1S/C19H23N5O/c1-14-21-22-19(24(14)10-11-25-4)18-13-16(8-9-20-18)15-6-5-7-17(12-15)23(2)3/h5-9,12-13H,10-11H2,1-4H3
InChIKeyKJMVQWLKPRQWGL-UHFFFAOYSA-N
XLogP3.03
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[1-(2-Phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine
CID 3229139
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CID 4870355
4-(5-Methyl-3-(p-tolyl)pyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4909114
3-[3-Ethyl-5-(6-phenyl-3-pyridinyl)-1,2,4-triazol-4-yl]-2-methylbenzonitrile
CID 9925334
2-Methoxy-5-[3-(5-pyridin-2-yl-tetrazol-2-yl)-phenyl]-pyrimidine
CID 10125821
4-[[4-Benzyl-5-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 22017577
2-[4-[4-Benzyl-5-(ethoxymethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 22017591
2-[2-(2''''-Ethyl-biphenyl-3-yl)-2H-tetrazol-5-yl]-pyridine
CID 44395431
5-[3-Fluoro-5-(5-pyridin-2-yl-tetrazol-2-yl)-phenyl]-2-methoxy-pyrimidine
CID 44395568
N-(4-(3-Methyl-1H-1,2,4-triazol-1-yl)phenyl)-4-(3-morpholinophenyl)pyrimidin-2-amine
CID 44627583
4-[(1-Benzyl-1H-tetrazol-5-yl)-pyridin-2-yl-methyl]-morpholine
CID 647853
4-[(1-Benzyl-1H-tetrazol-5-yl)-pyridin-4-yl-methyl]-morpholine
CID 648580

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-4-pyridinyl]-N,N-dimethylaniline?
The IUPAC name of 3-[2-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-4-pyridinyl]-N,N-dimethylaniline (CID 134808866) is 3-[2-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-4-pyridinyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[2-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-4-pyridinyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[2-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-4-pyridinyl]-N,N-dimethylaniline is COCCn1c(C)nnc1-c1cc(-c2cccc(N(C)C)c2)ccn1.
What is the InChIKey of 3-[2-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-4-pyridinyl]-N,N-dimethylaniline?
The InChIKey is KJMVQWLKPRQWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14-21-22-19(24(14)10-11-25-4)18-13-16(8-9-20-18)15-6-5-7-17(12-15)23(2)3/h5-9,12-13H,10-11H2,1-4H3.
What are the key properties of 3-[2-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-4-pyridinyl]-N,N-dimethylaniline?
3-[2-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-4-pyridinyl]-N,N-dimethylaniline has a molecular weight of 337.43 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-4-pyridinyl]-N,N-dimethylaniline is sourced from PubChem (CID 134808866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).