4-(4-methoxyphenyl)-2H-triazole

C9H9N3O — CID 600260

IUPAC4-(4-methoxyphenyl)-2H-triazole
SMILESCOc1ccc(-c2cn[nH]n2)cc1
InChIInChI=1S/C9H9N3O/c1-13-8-4-2-7(3-5-8)9-6-10-12-11-9/h2-6H,1H3,(H,10,11,12)
InChIKeyLPVPGKCWLFFGFF-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.48
Rot. Bonds2

About 4-(4-methoxyphenyl)-2H-triazole

4-(4-methoxyphenyl)-2H-triazole (PubChem CID 600260) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2H-triazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2H-triazole
PubChem CID600260
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name4-(4-methoxyphenyl)-2H-triazole
SMILESCOc1ccc(-c2cn[nH]n2)cc1
InChIInChI=1S/C9H9N3O/c1-13-8-4-2-7(3-5-8)9-6-10-12-11-9/h2-6H,1H3,(H,10,11,12)
InChIKeyLPVPGKCWLFFGFF-UHFFFAOYSA-N
XLogP1.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-Methoxyphenyl)-1H-1,2,3-triazole
CID 9877511
3-(4-Methoxyphenyl)-1H-Pyrazole
CID 599984
4-(1H-1,2,3-triazol-5-yl)phenol
CID 135446116
5-(4-Butoxy-phenyl)-1H-pyrazole
CID 10198293
(E)-3-fluoro-2-[[4-(2-methyltriazol-4-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512029
(Z)-3-fluoro-2-[[4-(2-methyltriazol-4-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369025
3-(2-Methoxyphenyl)-1H-pyrazole
CID 2736764
3-(4-methoxyphenyl)-4H-pyrazol-4-one N-phenylhydrazone
CID 3280573
4-(3-Methoxyphenyl)-1H-1,2,3-triazole
CID 44446804
1-Benzyl-4-(4-methoxyphenyl)-1h-1,2,3-triazole
CID 25185932
1-[3-(4-Methoxyphenyl)-1H-pyrazol-4-yl]methanamine
CID 16767326
5-(3-fluoro-4-methoxyphenyl)-4-methyl-1H-pyrazole
CID 1482912

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2H-triazole?
The IUPAC name of 4-(4-methoxyphenyl)-2H-triazole (CID 600260) is 4-(4-methoxyphenyl)-2H-triazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-2H-triazole?
The canonical SMILES for 4-(4-methoxyphenyl)-2H-triazole is COc1ccc(-c2cn[nH]n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2H-triazole?
The InChIKey is LPVPGKCWLFFGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-13-8-4-2-7(3-5-8)9-6-10-12-11-9/h2-6H,1H3,(H,10,11,12).
What are the key properties of 4-(4-methoxyphenyl)-2H-triazole?
4-(4-methoxyphenyl)-2H-triazole has a molecular weight of 175.19 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2H-triazole is sourced from PubChem (CID 600260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).