N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridazin-3-ylmethanamine

C14H12BrN5O — CID 106895821

IUPACN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridazin-3-ylmethanamine
SMILESBrc1ccccc1-c1nnc(CNCc2cccnn2)o1
InChIInChI=1S/C14H12BrN5O/c15-12-6-2-1-5-11(12)14-20-19-13(21-14)9-16-8-10-4-3-7-17-18-10/h1-7,16H,8-9H2
InChIKeyOABKWPCIPUOUEM-UHFFFAOYSA-N
MW346.19 g/mol
LogP2.58
Rot. Bonds5

About N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridazin-3-ylmethanamine

N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridazin-3-ylmethanamine (PubChem CID 106895821) has the molecular formula C14H12BrN5O and a molecular weight of 346.19 g/mol. Its IUPAC name is N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridazin-3-ylmethanamine.

Molecular Properties

Compound NameN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridazin-3-ylmethanamine
PubChem CID106895821
Molecular FormulaC14H12BrN5O
Molecular Weight346.19 g/mol
Exact Mass345.02
IUPAC NameN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridazin-3-ylmethanamine
SMILESBrc1ccccc1-c1nnc(CNCc2cccnn2)o1
InChIInChI=1S/C14H12BrN5O/c15-12-6-2-1-5-11(12)14-20-19-13(21-14)9-16-8-10-4-3-7-17-18-10/h1-7,16H,8-9H2
InChIKeyOABKWPCIPUOUEM-UHFFFAOYSA-N
XLogP2.58
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridazin-3-ylmethanamine?
The IUPAC name of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridazin-3-ylmethanamine (CID 106895821) is N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridazin-3-ylmethanamine.
What is the SMILES notation for N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridazin-3-ylmethanamine?
The canonical SMILES for N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridazin-3-ylmethanamine is Brc1ccccc1-c1nnc(CNCc2cccnn2)o1.
What is the InChIKey of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridazin-3-ylmethanamine?
The InChIKey is OABKWPCIPUOUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O/c15-12-6-2-1-5-11(12)14-20-19-13(21-14)9-16-8-10-4-3-7-17-18-10/h1-7,16H,8-9H2.
What are the key properties of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridazin-3-ylmethanamine?
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridazin-3-ylmethanamine has a molecular weight of 346.19 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridazin-3-ylmethanamine is sourced from PubChem (CID 106895821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).