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

C9H9N3O — CID 659620

IUPAC4-(4-methoxyphenyl)-1,2,4-triazole
SMILESCOc1ccc(-n2cnnc2)cc1
InChIInChI=1S/C9H9N3O/c1-13-9-4-2-8(3-5-9)12-6-10-11-7-12/h2-7H,1H3
InChIKeyVMRVYFWWRRLMTD-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.28
Rot. Bonds2

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

4-(4-methoxyphenyl)-1,2,4-triazole (PubChem CID 659620) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1,2,4-triazole
PubChem CID659620
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name4-(4-methoxyphenyl)-1,2,4-triazole
SMILESCOc1ccc(-n2cnnc2)cc1
InChIInChI=1S/C9H9N3O/c1-13-9-4-2-8(3-5-9)12-6-10-11-7-12/h2-7H,1H3
InChIKeyVMRVYFWWRRLMTD-UHFFFAOYSA-N
XLogP1.28
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,2,4-Triazol-1-yl)phenol
CID 110064
4-methoxy-3-(1H-tetrazol-1-yl)aniline
CID 16193800
1-(3-Methoxy-phenyl)-1H-tetrazole
CID 856021
1-(4-Methoxy-phenyl)-1H-tetrazole
CID 270008
1-[4-(4-methoxyphenyl)piperazino]-2-(1H-1,2,4-triazol-1-yl)-1-ethanone
CID 1474447
N,N-dimethyl-1-(4-phenoxyphenyl)-1H-1,2,3,4-tetraazol-5-amine
CID 1482504
1-(4-Butoxy-phenyl)-1H-[1,2,4]triazole
CID 11458616
1-(4-phenoxyphenyl)-1H-tetraazole
CID 781454
1-(4-methoxyphenyl)-1H-1,2,4-triazole
CID 11084390
4-(4H-1,2,4-Triazol-4-yl)phenol
CID 25239502
N,N-dimethyl-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3,4-tetraazol-5-amine
CID 1475259
3-N-(4-methoxyphenyl)-1H-1,2,4-triazole-3,5-diamine
CID 2747532

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1,2,4-triazole?
The IUPAC name of 4-(4-methoxyphenyl)-1,2,4-triazole (CID 659620) is 4-(4-methoxyphenyl)-1,2,4-triazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-1,2,4-triazole?
The canonical SMILES for 4-(4-methoxyphenyl)-1,2,4-triazole is COc1ccc(-n2cnnc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1,2,4-triazole?
The InChIKey is VMRVYFWWRRLMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-13-9-4-2-8(3-5-9)12-6-10-11-7-12/h2-7H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-1,2,4-triazole?
4-(4-methoxyphenyl)-1,2,4-triazole has a molecular weight of 175.19 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1,2,4-triazole is sourced from PubChem (CID 659620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).