3-(4-fluorophenyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclobutan-1-amine

C15H19FN4 — CID 99618679

IUPAC3-(4-fluorophenyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclobutan-1-amine
SMILESC[C@H](Cn1cncn1)NC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN4/c1-11(8-20-10-17-9-18-20)19-15-6-13(7-15)12-2-4-14(16)5-3-12/h2-5,9-11,13,15,19H,6-8H2,1H3/t11-,13?,15?/m1/s1
InChIKeyRUOPVIKOVRUDLR-NUYPLMSZSA-N
MW274.34 g/mol
LogP2.34
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclobutan-1-amine

3-(4-fluorophenyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclobutan-1-amine (PubChem CID 99618679) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclobutan-1-amine
PubChem CID99618679
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name3-(4-fluorophenyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclobutan-1-amine
SMILESC[C@H](Cn1cncn1)NC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN4/c1-11(8-20-10-17-9-18-20)19-15-6-13(7-15)12-2-4-14(16)5-3-12/h2-5,9-11,13,15,19H,6-8H2,1H3/t11-,13?,15?/m1/s1
InChIKeyRUOPVIKOVRUDLR-NUYPLMSZSA-N
XLogP2.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclobutan-1-amine
CID 99618678
3-(4-fluorophenyl)-N-(4-methoxybutan-2-yl)cyclobutan-1-amine
CID 64604417
3-(4-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81351603
N-[1-(4-fluorophenyl)propan-2-yl]-3-phenylcyclobutan-1-amine
CID 62996135
(1R)-7-bromo-4-fluoro-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-2,3-dihydro-1H-inden-1-amine
CID 97073001
N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)cyclobutan-1-amine
CID 115920232
2-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]cyclopentan-1-amine
CID 115714390
3-(4-fluorophenyl)-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine
CID 43634317
3-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine
CID 60946183
N-(pyridin-4-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 115595990
3-(4-methylphenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 43749167
2-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 56720085

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclobutan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclobutan-1-amine (CID 99618679) is 3-(4-fluorophenyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclobutan-1-amine is C[C@H](Cn1cncn1)NC1CC(c2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclobutan-1-amine?
The InChIKey is RUOPVIKOVRUDLR-NUYPLMSZSA-N. The full InChI is InChI=1S/C15H19FN4/c1-11(8-20-10-17-9-18-20)19-15-6-13(7-15)12-2-4-14(16)5-3-12/h2-5,9-11,13,15,19H,6-8H2,1H3/t11-,13?,15?/m1/s1.
What are the key properties of 3-(4-fluorophenyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclobutan-1-amine?
3-(4-fluorophenyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclobutan-1-amine has a molecular weight of 274.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 99618679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).