5-(azetidin-3-yl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole

C12H14N4O — CID 84693526

IUPAC5-(azetidin-3-yl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
SMILESCOc1cccc(-c2n[nH]c(C3CNC3)n2)c1
InChIInChI=1S/C12H14N4O/c1-17-10-4-2-3-8(5-10)11-14-12(16-15-11)9-6-13-7-9/h2-5,9,13H,6-7H2,1H3,(H,14,15,16)
InChIKeyQQOMRFSKSOTBQA-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.17
Rot. Bonds3

About 5-(azetidin-3-yl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole

5-(azetidin-3-yl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole (PubChem CID 84693526) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
PubChem CID84693526
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name5-(azetidin-3-yl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
SMILESCOc1cccc(-c2n[nH]c(C3CNC3)n2)c1
InChIInChI=1S/C12H14N4O/c1-17-10-4-2-3-8(5-10)11-14-12(16-15-11)9-6-13-7-9/h2-5,9,13H,6-7H2,1H3,(H,14,15,16)
InChIKeyQQOMRFSKSOTBQA-UHFFFAOYSA-N
XLogP1.17
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529464
5-(chloromethyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
CID 79601243
3-(3-methoxyphenyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 63032530
3-(3-tert-butylphenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 169291660
3-(3-methoxyphenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120841699
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529375
4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine
CID 80550230
3-(3-methoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 119948489
[6-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-4-yl]hydrazine
CID 55189800
5-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzene-1,3-diamine
CID 43826589
3-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)aniline
CID 66487005

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(azetidin-3-yl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole (CID 84693526) is 5-(azetidin-3-yl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(azetidin-3-yl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(azetidin-3-yl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole is COc1cccc(-c2n[nH]c(C3CNC3)n2)c1.
What is the InChIKey of 5-(azetidin-3-yl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole?
The InChIKey is QQOMRFSKSOTBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-17-10-4-2-3-8(5-10)11-14-12(16-15-11)9-6-13-7-9/h2-5,9,13H,6-7H2,1H3,(H,14,15,16).
What are the key properties of 5-(azetidin-3-yl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole?
5-(azetidin-3-yl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole has a molecular weight of 230.27 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 84693526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).