3,4-dicyclopropyl-5-(3-fluorocyclobutyl)-1,2,4-triazole

C12H16FN3 — CID 90008789

IUPAC3,4-dicyclopropyl-5-(3-fluorocyclobutyl)-1,2,4-triazole
SMILESFC1CC(c2nnc(C3CC3)n2C2CC2)C1
InChIInChI=1S/C12H16FN3/c13-9-5-8(6-9)12-15-14-11(7-1-2-7)16(12)10-3-4-10/h7-10H,1-6H2
InChIKeyOKUGABFVJHSWFG-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.71
Rot. Bonds3

About 3,4-dicyclopropyl-5-(3-fluorocyclobutyl)-1,2,4-triazole

3,4-dicyclopropyl-5-(3-fluorocyclobutyl)-1,2,4-triazole (PubChem CID 90008789) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is 3,4-dicyclopropyl-5-(3-fluorocyclobutyl)-1,2,4-triazole.

Molecular Properties

Compound Name3,4-dicyclopropyl-5-(3-fluorocyclobutyl)-1,2,4-triazole
PubChem CID90008789
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC Name3,4-dicyclopropyl-5-(3-fluorocyclobutyl)-1,2,4-triazole
SMILESFC1CC(c2nnc(C3CC3)n2C2CC2)C1
InChIInChI=1S/C12H16FN3/c13-9-5-8(6-9)12-15-14-11(7-1-2-7)16(12)10-3-4-10/h7-10H,1-6H2
InChIKeyOKUGABFVJHSWFG-UHFFFAOYSA-N
XLogP2.71
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Chloro-4,5-dicyclopropyl-4h-1,2,4-triazole
CID 63384839
3-bromo-4,5-dicyclopropyl-4H-1,2,4-triazole
CID 125424465
5-cyclobutyl-1-cyclohexyl-3-cyclopropyl-1H-1,2,4-triazole
CID 131941557
4-Cyclohexyl-3-cyclopropyl-5-propyl-1,2,4-triazole
CID 164667290
3-(4,5-Dimethyl-1,2,4-triazol-3-yl)-3-fluorocyclobutan-1-amine
CID 130941534
3-(Bromomethyl)-4-cyclopropyl-5-(2-fluoro-1-methylcyclopropyl)-1,2,4-triazole
CID 131001692
N-cyclopropyl-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentanamine
CID 53592591
2-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)-N-methyl-N-propan-2-ylpropan-2-amine
CID 57625638
N-[2-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)propan-2-yl]-N-methylcyclobutanamine
CID 57625728
2-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)-N,N-dimethylpropan-2-amine
CID 57625857
1-(4,5-dicyclopropyl-4H-1,2,4-triazol-3-yl)cyclobutanamine
CID 68909669
3-Tert-butyl-5-cyclopropyl-4-propan-2-yl-1,2,4-triazole
CID 71182153

Frequently Asked Questions

What is the IUPAC name of 3,4-dicyclopropyl-5-(3-fluorocyclobutyl)-1,2,4-triazole?
The IUPAC name of 3,4-dicyclopropyl-5-(3-fluorocyclobutyl)-1,2,4-triazole (CID 90008789) is 3,4-dicyclopropyl-5-(3-fluorocyclobutyl)-1,2,4-triazole.
What is the SMILES notation for 3,4-dicyclopropyl-5-(3-fluorocyclobutyl)-1,2,4-triazole?
The canonical SMILES for 3,4-dicyclopropyl-5-(3-fluorocyclobutyl)-1,2,4-triazole is FC1CC(c2nnc(C3CC3)n2C2CC2)C1.
What is the InChIKey of 3,4-dicyclopropyl-5-(3-fluorocyclobutyl)-1,2,4-triazole?
The InChIKey is OKUGABFVJHSWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3/c13-9-5-8(6-9)12-15-14-11(7-1-2-7)16(12)10-3-4-10/h7-10H,1-6H2.
What are the key properties of 3,4-dicyclopropyl-5-(3-fluorocyclobutyl)-1,2,4-triazole?
3,4-dicyclopropyl-5-(3-fluorocyclobutyl)-1,2,4-triazole has a molecular weight of 221.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dicyclopropyl-5-(3-fluorocyclobutyl)-1,2,4-triazole is sourced from PubChem (CID 90008789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).