5-methoxy-2-methyl-4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]pyridine

C14H16N6O — CID 146040427

IUPAC5-methoxy-2-methyl-4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]pyridine
SMILESCOc1cnc(C)cc1-c1nc(C)nn1-c1cnn(C)c1
InChIInChI=1S/C14H16N6O/c1-9-5-12(13(21-4)7-15-9)14-17-10(2)18-20(14)11-6-16-19(3)8-11/h5-8H,1-4H3
InChIKeyYPHUWUNKGJBFSH-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.69
Rot. Bonds3

About 5-methoxy-2-methyl-4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]pyridine

5-methoxy-2-methyl-4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 146040427) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-methoxy-2-methyl-4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name5-methoxy-2-methyl-4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]pyridine
PubChem CID146040427
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name5-methoxy-2-methyl-4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]pyridine
SMILESCOc1cnc(C)cc1-c1nc(C)nn1-c1cnn(C)c1
InChIInChI=1S/C14H16N6O/c1-9-5-12(13(21-4)7-15-9)14-17-10(2)18-20(14)11-6-16-19(3)8-11/h5-8H,1-4H3
InChIKeyYPHUWUNKGJBFSH-UHFFFAOYSA-N
XLogP1.69
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-methoxy-2-methyl-4-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine
CID 146042267
2-[5-(5-methoxy-2-methyl-4-pyridinyl)-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide
CID 146039964
2-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine;dihydrochloride
CID 155938765
4-[[4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]furan-2-yl]methyl]morpholine
CID 138387566
1,3-dimethyl-5-[3-methyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]indole
CID 58013281
4-[5-(2,3-difluoro-6-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-2-methylpyridine
CID 74247116
2-[1-butyl-5-(5-methoxy-2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]acetamide
CID 146038853
5-methoxy-2-methyl-4-[5-(5-methylfuran-2-yl)-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridine
CID 146045932
5-methoxy-2-methylpyridin-4-amine
CID 59938080
3-methyl-1-(1-methylpyrazol-4-yl)-5-[(2-phenylimidazol-1-yl)methyl]-1,2,4-triazole
CID 138386501
4-methoxy-2-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 79779039
6-chloro-1-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridine
CID 169489359

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 5-methoxy-2-methyl-4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]pyridine (CID 146040427) is 5-methoxy-2-methyl-4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 5-methoxy-2-methyl-4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 5-methoxy-2-methyl-4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]pyridine is COc1cnc(C)cc1-c1nc(C)nn1-c1cnn(C)c1.
What is the InChIKey of 5-methoxy-2-methyl-4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]pyridine?
The InChIKey is YPHUWUNKGJBFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-9-5-12(13(21-4)7-15-9)14-17-10(2)18-20(14)11-6-16-19(3)8-11/h5-8H,1-4H3.
What are the key properties of 5-methoxy-2-methyl-4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]pyridine?
5-methoxy-2-methyl-4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 284.32 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 146040427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).