3-cyclopropyl-1-(3-fluorophenyl)-5-(methoxymethyl)-1,2,4-triazole

C13H14FN3O — CID 72904633

IUPAC3-cyclopropyl-1-(3-fluorophenyl)-5-(methoxymethyl)-1,2,4-triazole
SMILESCOCc1nc(C2CC2)nn1-c1cccc(F)c1
InChIInChI=1S/C13H14FN3O/c1-18-8-12-15-13(9-5-6-9)16-17(12)11-4-2-3-10(14)7-11/h2-4,7,9H,5-6,8H2,1H3
InChIKeySGUDVBQXHBTCEN-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.43
Rot. Bonds4

About 3-cyclopropyl-1-(3-fluorophenyl)-5-(methoxymethyl)-1,2,4-triazole

3-cyclopropyl-1-(3-fluorophenyl)-5-(methoxymethyl)-1,2,4-triazole (PubChem CID 72904633) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3-fluorophenyl)-5-(methoxymethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-1-(3-fluorophenyl)-5-(methoxymethyl)-1,2,4-triazole
PubChem CID72904633
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name3-cyclopropyl-1-(3-fluorophenyl)-5-(methoxymethyl)-1,2,4-triazole
SMILESCOCc1nc(C2CC2)nn1-c1cccc(F)c1
InChIInChI=1S/C13H14FN3O/c1-18-8-12-15-13(9-5-6-9)16-17(12)11-4-2-3-10(14)7-11/h2-4,7,9H,5-6,8H2,1H3
InChIKeySGUDVBQXHBTCEN-UHFFFAOYSA-N
XLogP2.43
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Methyl-2-phenyl-1,2,4-triazol-3-yl)propan-2-ol
CID 659949
Methyl 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate
CID 25592270
Methyl 5-cyclohexyl-1-(4-fluorophenyl)-1,2,4-triazole-3-carboxylate
CID 54753097
Methyl 1-(4-fluorophenyl)-5-propan-2-yl-1,2,4-triazole-3-carboxylate
CID 56661571
Methyl 5-cyclopentyl-1-(4-fluorophenyl)-1,2,4-triazole-3-carboxylate
CID 56664985
Methyl 5-butyl-1-(4-fluorophenyl)-1,2,4-triazole-3-carboxylate
CID 56668423
Methyl 5-cyclopropyl-1-(4-fluorophenyl)-1,2,4-triazole-3-carboxylate
CID 56668424
3-chloro-5-cyclopropyl-4-(4-fluorophenyl)-4H-1,2,4-triazole
CID 39869672
1-(3-fluorophenyl)-5-(propan-2-yl)-1H-1,2,4-triazole-3-carboxylic acid
CID 43652394
1-(3-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid
CID 16767509
5-ethyl-1-(2-fluorophenyl)-1H-1,2,4-triazole-3-carboxylic acid
CID 43652405
5-methyl-1-phenyl-1H-[1,2,4]triazole-3-carboxylic acid methyl ester
CID 13411639

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3-fluorophenyl)-5-(methoxymethyl)-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-1-(3-fluorophenyl)-5-(methoxymethyl)-1,2,4-triazole (CID 72904633) is 3-cyclopropyl-1-(3-fluorophenyl)-5-(methoxymethyl)-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-1-(3-fluorophenyl)-5-(methoxymethyl)-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-1-(3-fluorophenyl)-5-(methoxymethyl)-1,2,4-triazole is COCc1nc(C2CC2)nn1-c1cccc(F)c1.
What is the InChIKey of 3-cyclopropyl-1-(3-fluorophenyl)-5-(methoxymethyl)-1,2,4-triazole?
The InChIKey is SGUDVBQXHBTCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-18-8-12-15-13(9-5-6-9)16-17(12)11-4-2-3-10(14)7-11/h2-4,7,9H,5-6,8H2,1H3.
What are the key properties of 3-cyclopropyl-1-(3-fluorophenyl)-5-(methoxymethyl)-1,2,4-triazole?
3-cyclopropyl-1-(3-fluorophenyl)-5-(methoxymethyl)-1,2,4-triazole has a molecular weight of 247.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3-fluorophenyl)-5-(methoxymethyl)-1,2,4-triazole is sourced from PubChem (CID 72904633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).