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

C11H11F3N4O — CID 171328153

IUPACN-methyl-1-pyridin-2-yl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine
SMILESCN(Cc1ccccn1)Cc1nnc(C(F)(F)F)o1
InChIInChI=1S/C11H11F3N4O/c1-18(6-8-4-2-3-5-15-8)7-9-16-17-10(19-9)11(12,13)14/h2-5H,6-7H2,1H3
InChIKeyTWUGISONWOFZQC-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.12
Rot. Bonds4

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

N-methyl-1-pyridin-2-yl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine (PubChem CID 171328153) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is N-methyl-1-pyridin-2-yl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-pyridin-2-yl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine
PubChem CID171328153
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC NameN-methyl-1-pyridin-2-yl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine
SMILESCN(Cc1ccccn1)Cc1nnc(C(F)(F)F)o1
InChIInChI=1S/C11H11F3N4O/c1-18(6-8-4-2-3-5-15-8)7-9-16-17-10(19-9)11(12,13)14/h2-5H,6-7H2,1H3
InChIKeyTWUGISONWOFZQC-UHFFFAOYSA-N
XLogP2.12
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyridin-2-yl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine?
The IUPAC name of N-methyl-1-pyridin-2-yl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine (CID 171328153) is N-methyl-1-pyridin-2-yl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine.
What is the SMILES notation for N-methyl-1-pyridin-2-yl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine?
The canonical SMILES for N-methyl-1-pyridin-2-yl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine is CN(Cc1ccccn1)Cc1nnc(C(F)(F)F)o1.
What is the InChIKey of N-methyl-1-pyridin-2-yl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine?
The InChIKey is TWUGISONWOFZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c1-18(6-8-4-2-3-5-15-8)7-9-16-17-10(19-9)11(12,13)14/h2-5H,6-7H2,1H3.
What are the key properties of N-methyl-1-pyridin-2-yl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine?
N-methyl-1-pyridin-2-yl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine has a molecular weight of 272.23 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyridin-2-yl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine is sourced from PubChem (CID 171328153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).