4-(4-methoxyphenyl)-3-methyl-1,2,4-triazole

C10H11N3O — CID 13019909

IUPAC4-(4-methoxyphenyl)-3-methyl-1,2,4-triazole
SMILESCOc1ccc(-n2cnnc2C)cc1
InChIInChI=1S/C10H11N3O/c1-8-12-11-7-13(8)9-3-5-10(14-2)6-4-9/h3-7H,1-2H3
InChIKeyPHNUPVBJIZKMAV-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.58
Rot. Bonds2

About 4-(4-methoxyphenyl)-3-methyl-1,2,4-triazole

4-(4-methoxyphenyl)-3-methyl-1,2,4-triazole (PubChem CID 13019909) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-methyl-1,2,4-triazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-methyl-1,2,4-triazole
PubChem CID13019909
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-(4-methoxyphenyl)-3-methyl-1,2,4-triazole
SMILESCOc1ccc(-n2cnnc2C)cc1
InChIInChI=1S/C10H11N3O/c1-8-12-11-7-13(8)9-3-5-10(14-2)6-4-9/h3-7H,1-2H3
InChIKeyPHNUPVBJIZKMAV-UHFFFAOYSA-N
XLogP1.58
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole
CID 56706565
2-[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 56706277
4-(4-methoxyphenyl)-3-tridecyl-1,2,4-triazole
CID 54071497
4-(4-methoxyphenyl)-3-[(1S)-1-pyrrolidin-1-ylethyl]-1,2,4-triazole
CID 95197300
3-chloro-4-(3,5-dimethoxyphenyl)-1,2,4-triazole
CID 63383430
3-[(4-methoxyphenyl)methyl]-4-phenyl-1,2,4-triazole
CID 115393487
4-(4-methoxyphenyl)-3-[(1R)-1-pyrazol-1-ylethyl]-1,2,4-triazole
CID 95218108
3-(3,5-dimethoxyphenyl)-4-phenyl-1,2,4-triazole
CID 115393476
(3S)-3-[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-1-methylpiperidine
CID 95188135
4-methoxy-2-(4-phenyl-1,2,4-triazol-3-yl)aniline
CID 115412400
2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 40649289
4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 2433215

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-methyl-1,2,4-triazole?
The IUPAC name of 4-(4-methoxyphenyl)-3-methyl-1,2,4-triazole (CID 13019909) is 4-(4-methoxyphenyl)-3-methyl-1,2,4-triazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-methyl-1,2,4-triazole?
The canonical SMILES for 4-(4-methoxyphenyl)-3-methyl-1,2,4-triazole is COc1ccc(-n2cnnc2C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-methyl-1,2,4-triazole?
The InChIKey is PHNUPVBJIZKMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-8-12-11-7-13(8)9-3-5-10(14-2)6-4-9/h3-7H,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-3-methyl-1,2,4-triazole?
4-(4-methoxyphenyl)-3-methyl-1,2,4-triazole has a molecular weight of 189.22 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-methyl-1,2,4-triazole is sourced from PubChem (CID 13019909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).