4-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)triazole

C12H12FN3O — CID 131702510

IUPAC4-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)triazole
SMILESCOc1ccc(-n2cc(C3CC3)nn2)cc1F
InChIInChI=1S/C12H12FN3O/c1-17-12-5-4-9(6-10(12)13)16-7-11(14-15-16)8-2-3-8/h4-8H,2-3H2,1H3
InChIKeyZANJMFDSELDTRF-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.29
Rot. Bonds3

About 4-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)triazole

4-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)triazole (PubChem CID 131702510) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 4-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)triazole.

Molecular Properties

Compound Name4-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)triazole
PubChem CID131702510
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name4-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)triazole
SMILESCOc1ccc(-n2cc(C3CC3)nn2)cc1F
InChIInChI=1S/C12H12FN3O/c1-17-12-5-4-9(6-10(12)13)16-7-11(14-15-16)8-2-3-8/h4-8H,2-3H2,1H3
InChIKeyZANJMFDSELDTRF-UHFFFAOYSA-N
XLogP2.29
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(3-fluoro-4-methoxyphenyl)triazol-4-yl]propan-1-amine
CID 114159959
2-[1-(3-fluoro-4-methoxyphenyl)triazol-4-yl]propan-2-ol
CID 113461307
N-[[1-(3-fluoro-4-methoxyphenyl)triazol-4-yl]methyl]ethanamine
CID 66205066
1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)triazole
CID 167757835
4-[2-[4-[1-(3,4-difluorophenyl)triazol-4-yl]piperidin-1-yl]ethyl]-2-methoxypyridine
CID 177025446
4-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)triazole
CID 114840799
4-(3-chloropropyl)-1-(4-fluoro-3-methoxyphenyl)triazole
CID 114840800
1-(3-fluoro-4-methoxyphenyl)pyrazol-3-amine
CID 102942591
1,3-dicyclopropyl-5-(3-fluoro-4-methoxyphenyl)-1,3,5-triazinane
CID 91402062
1-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboximidamide
CID 68969871
[1-(4-methoxy-3-methylphenyl)triazol-4-yl]methanol
CID 62399943
5-[1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-2-methoxyphenol
CID 11659636

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)triazole?
The IUPAC name of 4-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)triazole (CID 131702510) is 4-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)triazole.
What is the SMILES notation for 4-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)triazole?
The canonical SMILES for 4-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)triazole is COc1ccc(-n2cc(C3CC3)nn2)cc1F.
What is the InChIKey of 4-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)triazole?
The InChIKey is ZANJMFDSELDTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-17-12-5-4-9(6-10(12)13)16-7-11(14-15-16)8-2-3-8/h4-8H,2-3H2,1H3.
What are the key properties of 4-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)triazole?
4-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)triazole has a molecular weight of 233.25 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)triazole is sourced from PubChem (CID 131702510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).