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

C16H12F2N8O — CID 162722473

IUPAC5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridin-3-amine
SMILESNc1cncc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)c1
InChIInChI=1S/C16H12F2N8O/c17-13(18)16-23-22-15(27-16)10-3-1-9(2-4-10)8-26-24-14(21-25-26)11-5-12(19)7-20-6-11/h1-7,13H,8,19H2
InChIKeyVLCAFKGAVRSCGW-UHFFFAOYSA-N
MW370.32 g/mol
LogP2.35
Rot. Bonds5

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

5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridin-3-amine (PubChem CID 162722473) has the molecular formula C16H12F2N8O and a molecular weight of 370.32 g/mol. Its IUPAC name is 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridin-3-amine
PubChem CID162722473
Molecular FormulaC16H12F2N8O
Molecular Weight370.32 g/mol
Exact Mass370.11
IUPAC Name5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridin-3-amine
SMILESNc1cncc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)c1
InChIInChI=1S/C16H12F2N8O/c17-13(18)16-23-22-15(27-16)10-3-1-9(2-4-10)8-26-24-14(21-25-26)11-5-12(19)7-20-6-11/h1-7,13H,8,19H2
InChIKeyVLCAFKGAVRSCGW-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-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridin-3-amine?
The IUPAC name of 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridin-3-amine (CID 162722473) is 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridin-3-amine?
The canonical SMILES for 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridin-3-amine is Nc1cncc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)c1.
What is the InChIKey of 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridin-3-amine?
The InChIKey is VLCAFKGAVRSCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N8O/c17-13(18)16-23-22-15(27-16)10-3-1-9(2-4-10)8-26-24-14(21-25-26)11-5-12(19)7-20-6-11/h1-7,13H,8,19H2.
What are the key properties of 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridin-3-amine?
5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridin-3-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-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 162722473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).