3-(2-chlorofuran-3-yl)-5-cyclopropyl-1H-1,2,4-triazole

C9H8ClN3O — CID 106688162

IUPAC3-(2-chlorofuran-3-yl)-5-cyclopropyl-1H-1,2,4-triazole
SMILESClc1occc1-c1n[nH]c(C2CC2)n1
InChIInChI=1S/C9H8ClN3O/c10-7-6(3-4-14-7)9-11-8(12-13-9)5-1-2-5/h3-5H,1-2H2,(H,11,12,13)
InChIKeyQCHFMBBSRZXVDH-UHFFFAOYSA-N
MW209.64 g/mol
LogP2.60
Rot. Bonds2

About 3-(2-chlorofuran-3-yl)-5-cyclopropyl-1H-1,2,4-triazole

3-(2-chlorofuran-3-yl)-5-cyclopropyl-1H-1,2,4-triazole (PubChem CID 106688162) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 3-(2-chlorofuran-3-yl)-5-cyclopropyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-chlorofuran-3-yl)-5-cyclopropyl-1H-1,2,4-triazole
PubChem CID106688162
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name3-(2-chlorofuran-3-yl)-5-cyclopropyl-1H-1,2,4-triazole
SMILESClc1occc1-c1n[nH]c(C2CC2)n1
InChIInChI=1S/C9H8ClN3O/c10-7-6(3-4-14-7)9-11-8(12-13-9)5-1-2-5/h3-5H,1-2H2,(H,11,12,13)
InChIKeyQCHFMBBSRZXVDH-UHFFFAOYSA-N
XLogP2.60
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorofuran-3-yl)-5-cyclopentyl-1H-1,2,4-triazole
CID 106688164
3-(3-chloro-2-fluorophenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 81266490
5-cyclopropyl-3-phenyl-1H-1,2,4-triazole
CID 61338880
4-chloro-2-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)aniline
CID 86820070
3-(4-bromo-2-chlorophenyl)-5-cyclopentyl-1H-1,2,4-triazole
CID 61338312
3-(3-bromo-4-chlorophenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 107989217
2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylaniline
CID 60680940
3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 61336353
5-cyclohexyl-3-(2,6-dichlorophenyl)-1H-1,2,4-triazole
CID 55221848
2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4,5-difluoroaniline
CID 62865548
5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole
CID 61336548
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine
CID 106753267

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorofuran-3-yl)-5-cyclopropyl-1H-1,2,4-triazole?
The IUPAC name of 3-(2-chlorofuran-3-yl)-5-cyclopropyl-1H-1,2,4-triazole (CID 106688162) is 3-(2-chlorofuran-3-yl)-5-cyclopropyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-(2-chlorofuran-3-yl)-5-cyclopropyl-1H-1,2,4-triazole?
The canonical SMILES for 3-(2-chlorofuran-3-yl)-5-cyclopropyl-1H-1,2,4-triazole is Clc1occc1-c1n[nH]c(C2CC2)n1.
What is the InChIKey of 3-(2-chlorofuran-3-yl)-5-cyclopropyl-1H-1,2,4-triazole?
The InChIKey is QCHFMBBSRZXVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c10-7-6(3-4-14-7)9-11-8(12-13-9)5-1-2-5/h3-5H,1-2H2,(H,11,12,13).
What are the key properties of 3-(2-chlorofuran-3-yl)-5-cyclopropyl-1H-1,2,4-triazole?
3-(2-chlorofuran-3-yl)-5-cyclopropyl-1H-1,2,4-triazole has a molecular weight of 209.64 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorofuran-3-yl)-5-cyclopropyl-1H-1,2,4-triazole is sourced from PubChem (CID 106688162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).