N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

C8H10F3N3O — CID 106212554

IUPACN-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCc1nonc1CNC1(C(F)(F)F)CC1
InChIInChI=1S/C8H10F3N3O/c1-5-6(14-15-13-5)4-12-7(2-3-7)8(9,10)11/h12H,2-4H2,1H3
InChIKeyMZWXTEOKHPIUCQ-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.56
Rot. Bonds3

About N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106212554) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106212554
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC NameN-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCc1nonc1CNC1(C(F)(F)F)CC1
InChIInChI=1S/C8H10F3N3O/c1-5-6(14-15-13-5)4-12-7(2-3-7)8(9,10)11/h12H,2-4H2,1H3
InChIKeyMZWXTEOKHPIUCQ-UHFFFAOYSA-N
XLogP1.56
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106212554) is N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is Cc1nonc1CNC1(C(F)(F)F)CC1.
What is the InChIKey of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is MZWXTEOKHPIUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-5-6(14-15-13-5)4-12-7(2-3-7)8(9,10)11/h12H,2-4H2,1H3.
What are the key properties of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 221.18 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106212554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).