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

C10H9F3N4O — CID 54903195

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1noc(CNc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C10H9F3N4O/c1-6-16-9(18-17-6)5-15-8-3-2-7(4-14-8)10(11,12)13/h2-4H,5H2,1H3,(H,14,15)
InChIKeyKNSSYWYQQXKOLP-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.40
Rot. Bonds3

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

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 54903195) has the molecular formula C10H9F3N4O and a molecular weight of 258.20 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID54903195
Molecular FormulaC10H9F3N4O
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1noc(CNc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C10H9F3N4O/c1-6-16-9(18-17-6)5-15-8-3-2-7(4-14-8)10(11,12)13/h2-4H,5H2,1H3,(H,14,15)
InChIKeyKNSSYWYQQXKOLP-UHFFFAOYSA-N
XLogP2.40
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 54903195) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is Cc1noc(CNc2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KNSSYWYQQXKOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O/c1-6-16-9(18-17-6)5-15-8-3-2-7(4-14-8)10(11,12)13/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 258.20 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 54903195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).