1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)triazole

C14H17N3O3 — CID 167757835

IUPAC1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)triazole
SMILESCOc1ccc(-n2cc(C3CCCO3)nn2)cc1OC
InChIInChI=1S/C14H17N3O3/c1-18-13-6-5-10(8-14(13)19-2)17-9-11(15-16-17)12-4-3-7-20-12/h5-6,8-9,12H,3-4,7H2,1-2H3
InChIKeyZILGUUSRYHFUAN-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.14
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)triazole

1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)triazole (PubChem CID 167757835) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)triazole.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)triazole
PubChem CID167757835
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)triazole
SMILESCOc1ccc(-n2cc(C3CCCO3)nn2)cc1OC
InChIInChI=1S/C14H17N3O3/c1-18-13-6-5-10(8-14(13)19-2)17-9-11(15-16-17)12-4-3-7-20-12/h5-6,8-9,12H,3-4,7H2,1-2H3
InChIKeyZILGUUSRYHFUAN-UHFFFAOYSA-N
XLogP2.14
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)triazole
CID 131702510
2-[1-(3,4-dimethoxyphenyl)triazol-4-yl]pyridine
CID 71812350
4-methyl-3-[4-(oxolan-2-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
CID 67887072
3-methoxy-6-(oxan-2-yl)pyridazine
CID 117105921
2-(3,4-dimethoxyphenyl)oxan-3-amine
CID 79365049
1-(3-methoxy-4-phenylphenyl)-4-phenyltriazole
CID 175322203
[1-(4-methoxy-3-methylphenyl)triazol-4-yl]methanol
CID 62399943
5-[1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-2-methoxyphenol
CID 11659636
2-methoxy-4-(oxolan-2-yl)phenol
CID 70616633
1-(3,4-dimethoxyphenyl)-3-ethyl-5-[2-[(2S)-oxolan-2-yl]ethyl]-1,2,4-triazole
CID 167871490
3-(5-bromo-2-methoxyphenyl)-5-(oxolan-2-yl)-1,2,4-oxadiazole
CID 4888857
1-(4-bromo-3-methylphenyl)-4-(3,4-dimethoxyphenyl)triazole
CID 165488717

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)triazole?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)triazole (CID 167757835) is 1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)triazole.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)triazole?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)triazole is COc1ccc(-n2cc(C3CCCO3)nn2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)triazole?
The InChIKey is ZILGUUSRYHFUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-18-13-6-5-10(8-14(13)19-2)17-9-11(15-16-17)12-4-3-7-20-12/h5-6,8-9,12H,3-4,7H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)triazole?
1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)triazole has a molecular weight of 275.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)triazole is sourced from PubChem (CID 167757835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).