N-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]methanamine

C12H12N6O — CID 106486859

IUPACN-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]methanamine
SMILESCNCc1ccc(Oc2ccc3nnnn3n2)cc1
InChIInChI=1S/C12H12N6O/c1-13-8-9-2-4-10(5-3-9)19-12-7-6-11-14-16-17-18(11)15-12/h2-7,13H,8H2,1H3
InChIKeyUIKSQKGBMGWLGQ-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.03
Rot. Bonds4

About N-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]methanamine

N-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]methanamine (PubChem CID 106486859) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is N-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]methanamine
PubChem CID106486859
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC NameN-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]methanamine
SMILESCNCc1ccc(Oc2ccc3nnnn3n2)cc1
InChIInChI=1S/C12H12N6O/c1-13-8-9-2-4-10(5-3-9)19-12-7-6-11-14-16-17-18(11)15-12/h2-7,13H,8H2,1H3
InChIKeyUIKSQKGBMGWLGQ-UHFFFAOYSA-N
XLogP1.03
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]methanamine (CID 106486859) is N-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]methanamine is CNCc1ccc(Oc2ccc3nnnn3n2)cc1.
What is the InChIKey of N-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]methanamine?
The InChIKey is UIKSQKGBMGWLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-13-8-9-2-4-10(5-3-9)19-12-7-6-11-14-16-17-18(11)15-12/h2-7,13H,8H2,1H3.
What are the key properties of N-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]methanamine?
N-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]methanamine has a molecular weight of 256.27 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]methanamine is sourced from PubChem (CID 106486859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).