N-methyl-1-phenyl-1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methanamine

C14H13N5O — CID 72900582

IUPACN-methyl-1-phenyl-1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methanamine
SMILESCNC(c1ccccc1)c1nc(-c2cccnn2)no1
InChIInChI=1S/C14H13N5O/c1-15-12(10-6-3-2-4-7-10)14-17-13(19-20-14)11-8-5-9-16-18-11/h2-9,12,15H,1H3
InChIKeyGKMBTJJZFIXORY-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.84
Rot. Bonds4

About N-methyl-1-phenyl-1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methanamine

N-methyl-1-phenyl-1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methanamine (PubChem CID 72900582) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is N-methyl-1-phenyl-1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-phenyl-1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methanamine
PubChem CID72900582
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC NameN-methyl-1-phenyl-1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methanamine
SMILESCNC(c1ccccc1)c1nc(-c2cccnn2)no1
InChIInChI=1S/C14H13N5O/c1-15-12(10-6-3-2-4-7-10)14-17-13(19-20-14)11-8-5-9-16-18-11/h2-9,12,15H,1H3
InChIKeyGKMBTJJZFIXORY-UHFFFAOYSA-N
XLogP1.84
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-1-phenyl-1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-phenyl-1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methanamine (CID 72900582) is N-methyl-1-phenyl-1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-phenyl-1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-phenyl-1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methanamine is CNC(c1ccccc1)c1nc(-c2cccnn2)no1.
What is the InChIKey of N-methyl-1-phenyl-1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methanamine?
The InChIKey is GKMBTJJZFIXORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-15-12(10-6-3-2-4-7-10)14-17-13(19-20-14)11-8-5-9-16-18-11/h2-9,12,15H,1H3.
What are the key properties of N-methyl-1-phenyl-1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methanamine?
N-methyl-1-phenyl-1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methanamine has a molecular weight of 267.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methanamine is sourced from PubChem (CID 72900582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).