5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine

C16H12F2N8O — CID 162721935

IUPAC5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)nn2)cn1
InChIInChI=1S/C16H12F2N8O/c17-14(18)16-24-23-15(27-16)10-1-3-11(20-6-10)7-26-8-12(22-25-26)9-2-4-13(19)21-5-9/h1-6,8,14H,7H2,(H2,19,21)
InChIKeyBNODAOHYITZHKT-UHFFFAOYSA-N
MW370.32 g/mol
LogP2.35
Rot. Bonds5

About 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine

5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine (PubChem CID 162721935) has the molecular formula C16H12F2N8O and a molecular weight of 370.32 g/mol. Its IUPAC name is 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine
PubChem CID162721935
Molecular FormulaC16H12F2N8O
Molecular Weight370.32 g/mol
Exact Mass370.11
IUPAC Name5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)nn2)cn1
InChIInChI=1S/C16H12F2N8O/c17-14(18)16-24-23-15(27-16)10-1-3-11(20-6-10)7-26-8-12(22-25-26)9-2-4-13(19)21-5-9/h1-6,8,14H,7H2,(H2,19,21)
InChIKeyBNODAOHYITZHKT-UHFFFAOYSA-N
XLogP2.35
TPSA121.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine?
The IUPAC name of 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine (CID 162721935) is 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine?
The canonical SMILES for 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine is Nc1ccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)nn2)cn1.
What is the InChIKey of 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine?
The InChIKey is BNODAOHYITZHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N8O/c17-14(18)16-24-23-15(27-16)10-1-3-11(20-6-10)7-26-8-12(22-25-26)9-2-4-13(19)21-5-9/h1-6,8,14H,7H2,(H2,19,21).
What are the key properties of 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine?
5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine has a molecular weight of 370.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 162721935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).