1-ethyl-3-[1-fluoro-2-[[5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazol-3-yl]methyl]cyclopropyl]-5-methyl-1,2,4-triazole

C17H24F2N6 — CID 147752051

IUPAC1-ethyl-3-[1-fluoro-2-[[5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazol-3-yl]methyl]cyclopropyl]-5-methyl-1,2,4-triazole
SMILESCCn1nc(C2(F)CC2Cc2nc(C3(F)CC3)n(C(C)C)n2)nc1C
InChIInChI=1S/C17H24F2N6/c1-5-24-11(4)20-14(23-24)17(19)9-12(17)8-13-21-15(16(18)6-7-16)25(22-13)10(2)3/h10,12H,5-9H2,1-4H3
InChIKeyHCJUFGYHULNEGA-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.16
Rot. Bonds6

About 1-ethyl-3-[1-fluoro-2-[[5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazol-3-yl]methyl]cyclopropyl]-5-methyl-1,2,4-triazole

1-ethyl-3-[1-fluoro-2-[[5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazol-3-yl]methyl]cyclopropyl]-5-methyl-1,2,4-triazole (PubChem CID 147752051) has the molecular formula C17H24F2N6 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-ethyl-3-[1-fluoro-2-[[5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazol-3-yl]methyl]cyclopropyl]-5-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-ethyl-3-[1-fluoro-2-[[5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazol-3-yl]methyl]cyclopropyl]-5-methyl-1,2,4-triazole
PubChem CID147752051
Molecular FormulaC17H24F2N6
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name1-ethyl-3-[1-fluoro-2-[[5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazol-3-yl]methyl]cyclopropyl]-5-methyl-1,2,4-triazole
SMILESCCn1nc(C2(F)CC2Cc2nc(C3(F)CC3)n(C(C)C)n2)nc1C
InChIInChI=1S/C17H24F2N6/c1-5-24-11(4)20-14(23-24)17(19)9-12(17)8-13-21-15(16(18)6-7-16)25(22-13)10(2)3/h10,12H,5-9H2,1-4H3
InChIKeyHCJUFGYHULNEGA-UHFFFAOYSA-N
XLogP3.16
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-3-[1-fluoro-2-[[5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazol-3-yl]methyl]cyclopropyl]-5-methyl-1,2,4-triazole with MolForge

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Related Compounds

2-[5-Cyclopropyl-3-[[2-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methyl]-1,2,4-triazol-1-yl]ethanol
CID 146511984
6-[1-(Difluoromethyl)-5-methyl-1,2,4-triazol-3-yl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 176692680
6-[2-(Difluoromethyl)-5-methyl-1,2,4-triazol-3-yl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 176692815
3-Cyclopropyl-5-pyrrolidin-1-yl-4-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazole
CID 167769111
3-Cyclopropyl-1-[4-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]-1,2,4-triazole
CID 139305940
3-[2-[(5-Cyclopropyl-1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,5-dimethyl-1,2,4-triazole
CID 146511974
3-Tert-butyl-1-methyl-5-[[2-(5-methyl-2-propan-2-yl-1,2,4-triazol-3-yl)cyclopropyl]methyl]-1,2,4-triazole
CID 146512131
5-Cyclopropyl-3-[[2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropyl]methyl]-1-propan-2-yl-1,2,4-triazole
CID 146512428
1,3-Dimethyl-5-[2-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole
CID 146512429
1-Ethyl-3-[5-[2-(2-methylpropyl)-5-propan-2-yl-1,2,4-triazol-3-yl]hexan-2-yl]-5-propan-2-yl-1,2,4-triazole
CID 156061033
1-Ethyl-3-(1-fluorocyclopropyl)-5-methyl-1,2,4-triazole;1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole
CID 160554935
1,5-Di(propan-2-yl)-3-[2-[(5-propan-2-yl-1,2,4-triazol-1-yl)methyl]cyclopropyl]-1,2,4-triazole
CID 170025291

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[1-fluoro-2-[[5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazol-3-yl]methyl]cyclopropyl]-5-methyl-1,2,4-triazole?
The IUPAC name of 1-ethyl-3-[1-fluoro-2-[[5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazol-3-yl]methyl]cyclopropyl]-5-methyl-1,2,4-triazole (CID 147752051) is 1-ethyl-3-[1-fluoro-2-[[5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazol-3-yl]methyl]cyclopropyl]-5-methyl-1,2,4-triazole.
What is the SMILES notation for 1-ethyl-3-[1-fluoro-2-[[5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazol-3-yl]methyl]cyclopropyl]-5-methyl-1,2,4-triazole?
The canonical SMILES for 1-ethyl-3-[1-fluoro-2-[[5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazol-3-yl]methyl]cyclopropyl]-5-methyl-1,2,4-triazole is CCn1nc(C2(F)CC2Cc2nc(C3(F)CC3)n(C(C)C)n2)nc1C.
What is the InChIKey of 1-ethyl-3-[1-fluoro-2-[[5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazol-3-yl]methyl]cyclopropyl]-5-methyl-1,2,4-triazole?
The InChIKey is HCJUFGYHULNEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N6/c1-5-24-11(4)20-14(23-24)17(19)9-12(17)8-13-21-15(16(18)6-7-16)25(22-13)10(2)3/h10,12H,5-9H2,1-4H3.
What are the key properties of 1-ethyl-3-[1-fluoro-2-[[5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazol-3-yl]methyl]cyclopropyl]-5-methyl-1,2,4-triazole?
1-ethyl-3-[1-fluoro-2-[[5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazol-3-yl]methyl]cyclopropyl]-5-methyl-1,2,4-triazole has a molecular weight of 350.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[1-fluoro-2-[[5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazol-3-yl]methyl]cyclopropyl]-5-methyl-1,2,4-triazole is sourced from PubChem (CID 147752051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).