3-[4-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]pyridine

C21H18N4O — CID 56935430

IUPAC3-[4-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]pyridine
SMILESCOc1cccc(-c2nc(-c3ccc(-c4cccnc4)cc3)n(C)n2)c1
InChIInChI=1S/C21H18N4O/c1-25-21(23-20(24-25)17-5-3-7-19(13-17)26-2)16-10-8-15(9-11-16)18-6-4-12-22-14-18/h3-14H,1-2H3
InChIKeyVRFMTYZDKYKKMH-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.22
Rot. Bonds4

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

3-[4-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]pyridine (PubChem CID 56935430) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[4-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]pyridine.

Molecular Properties

Compound Name3-[4-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]pyridine
PubChem CID56935430
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name3-[4-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]pyridine
SMILESCOc1cccc(-c2nc(-c3ccc(-c4cccnc4)cc3)n(C)n2)c1
InChIInChI=1S/C21H18N4O/c1-25-21(23-20(24-25)17-5-3-7-19(13-17)26-2)16-10-8-15(9-11-16)18-6-4-12-22-14-18/h3-14H,1-2H3
InChIKeyVRFMTYZDKYKKMH-UHFFFAOYSA-N
XLogP4.22
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-5-(3-methoxyphenyl)-1-methyl-1,2,4-triazole
CID 84712036
5-(1-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-2-phenylpyrimidine
CID 59252470
3-[1-cyclopentyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine
CID 146145846
3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]pyridine
CID 174519203
[5-(3-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82472128
3-(3-methoxyphenyl)-N-[(4-pyridin-3-ylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 133332822
2,4-bis(3-methoxyphenyl)-6-[4-[4-[4-(3-methoxyphenyl)-6-(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 20652055
2-(2,6-difluorophenyl)-5-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indole
CID 58200697
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
3-azulen-6-ylpyridine
CID 86232079
5-(4-methoxyphenyl)-2-pyridin-3-ylpyridine
CID 59027680
6-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline
CID 141404533

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]pyridine?
The IUPAC name of 3-[4-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]pyridine (CID 56935430) is 3-[4-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]pyridine.
What is the SMILES notation for 3-[4-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]pyridine?
The canonical SMILES for 3-[4-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]pyridine is COc1cccc(-c2nc(-c3ccc(-c4cccnc4)cc3)n(C)n2)c1.
What is the InChIKey of 3-[4-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]pyridine?
The InChIKey is VRFMTYZDKYKKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-25-21(23-20(24-25)17-5-3-7-19(13-17)26-2)16-10-8-15(9-11-16)18-6-4-12-22-14-18/h3-14H,1-2H3.
What are the key properties of 3-[4-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]pyridine?
3-[4-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]pyridine has a molecular weight of 342.40 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]pyridine is sourced from PubChem (CID 56935430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).