N-methoxy-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C7H9N5O — CID 130676311

IUPACN-methoxy-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCON(C)c1ccc2nncn2n1
InChIInChI=1S/C7H9N5O/c1-11(13-2)7-4-3-6-9-8-5-12(6)10-7/h3-5H,1-2H3
InChIKeyGTVQUALHOPSMDZ-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.12
Rot. Bonds2

About N-methoxy-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-methoxy-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 130676311) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is N-methoxy-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-methoxy-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID130676311
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC NameN-methoxy-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCON(C)c1ccc2nncn2n1
InChIInChI=1S/C7H9N5O/c1-11(13-2)7-4-3-6-9-8-5-12(6)10-7/h3-5H,1-2H3
InChIKeyGTVQUALHOPSMDZ-UHFFFAOYSA-N
XLogP0.12
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-methoxy-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 130676311) is N-methoxy-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-methoxy-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-methoxy-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CON(C)c1ccc2nncn2n1.
What is the InChIKey of N-methoxy-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is GTVQUALHOPSMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-11(13-2)7-4-3-6-9-8-5-12(6)10-7/h3-5H,1-2H3.
What are the key properties of N-methoxy-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-methoxy-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 179.18 g/mol, XLogP of 0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 130676311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).