N-(1,2,4-oxadiazol-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine

C9H7F3N4O — CID 106402979

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(NCc2ncon2)c1
InChIInChI=1S/C9H7F3N4O/c10-9(11,12)6-1-2-13-7(3-6)14-4-8-15-5-17-16-8/h1-3,5H,4H2,(H,13,14)
InChIKeyBIVRYOGPBLGMOX-UHFFFAOYSA-N
MW244.18 g/mol
LogP2.10
Rot. Bonds3

About N-(1,2,4-oxadiazol-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine

N-(1,2,4-oxadiazol-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 106402979) has the molecular formula C9H7F3N4O and a molecular weight of 244.18 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID106402979
Molecular FormulaC9H7F3N4O
Molecular Weight244.18 g/mol
Exact Mass244.06
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(NCc2ncon2)c1
InChIInChI=1S/C9H7F3N4O/c10-9(11,12)6-1-2-13-7(3-6)14-4-8-15-5-17-16-8/h1-3,5H,4H2,(H,13,14)
InChIKeyBIVRYOGPBLGMOX-UHFFFAOYSA-N
XLogP2.10
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine
CID 106402960
N-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 107233201
N-[(4-bromophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66329838
3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 113238278
4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-N-propylpyridine-2,4-diamine
CID 114185489
6-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 114184724
N-[[4-(2-aminoethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330659
6-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 106411776
N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine
CID 45158546
N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)aniline
CID 114184358
2-hydrazinyl-N-(1,2,4-oxadiazol-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114185590
4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzoic acid
CID 66328048

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine (CID 106402979) is N-(1,2,4-oxadiazol-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccnc(NCc2ncon2)c1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BIVRYOGPBLGMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O/c10-9(11,12)6-1-2-13-7(3-6)14-4-8-15-5-17-16-8/h1-3,5H,4H2,(H,13,14).
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
N-(1,2,4-oxadiazol-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 244.18 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106402979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).