N-[[2-(ethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C15H17N5O — CID 47025650

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCOCc1ccccc1CNc1ccc2nncn2n1
InChIInChI=1S/C15H17N5O/c1-2-21-10-13-6-4-3-5-12(13)9-16-14-7-8-15-18-17-11-20(15)19-14/h3-8,11H,2,9-10H2,1H3,(H,16,19)
InChIKeyQOQWSECSGZPDEL-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.27
Rot. Bonds6

About N-[[2-(ethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[[2-(ethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 47025650) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID47025650
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCOCc1ccccc1CNc1ccc2nncn2n1
InChIInChI=1S/C15H17N5O/c1-2-21-10-13-6-4-3-5-12(13)9-16-14-7-8-15-18-17-11-20(15)19-14/h3-8,11H,2,9-10H2,1H3,(H,16,19)
InChIKeyQOQWSECSGZPDEL-UHFFFAOYSA-N
XLogP2.27
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 47025650) is N-[[2-(ethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCOCc1ccccc1CNc1ccc2nncn2n1.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is QOQWSECSGZPDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-2-21-10-13-6-4-3-5-12(13)9-16-14-7-8-15-18-17-11-20(15)19-14/h3-8,11H,2,9-10H2,1H3,(H,16,19).
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[[2-(ethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 283.34 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 47025650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).