N-(furan-2-ylmethyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

C11H11N5O — CID 5304683

IUPACN-(furan-2-ylmethyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCc1cc(NCc2ccco2)c2nncn2n1
InChIInChI=1S/C11H11N5O/c1-8-5-10(11-14-13-7-16(11)15-8)12-6-9-3-2-4-17-9/h2-5,7,12H,6H2,1H3
InChIKeyJPGRSYZFNHNXSK-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.64
Rot. Bonds3

About N-(furan-2-ylmethyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

N-(furan-2-ylmethyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 5304683) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
PubChem CID5304683
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC NameN-(furan-2-ylmethyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCc1cc(NCc2ccco2)c2nncn2n1
InChIInChI=1S/C11H11N5O/c1-8-5-10(11-14-13-7-16(11)15-8)12-6-9-3-2-4-17-9/h2-5,7,12H,6H2,1H3
InChIKeyJPGRSYZFNHNXSK-UHFFFAOYSA-N
XLogP1.64
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The IUPAC name of N-(furan-2-ylmethyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 5304683) is N-(furan-2-ylmethyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is Cc1cc(NCc2ccco2)c2nncn2n1.
What is the InChIKey of N-(furan-2-ylmethyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The InChIKey is JPGRSYZFNHNXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-8-5-10(11-14-13-7-16(11)15-8)12-6-9-3-2-4-17-9/h2-5,7,12H,6H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
N-(furan-2-ylmethyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 229.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 5304683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).