6-[(3-ethyl-2-hydroxypentyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C12H19N5O2 — CID 103756841

IUPAC6-[(3-ethyl-2-hydroxypentyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCC(CC)C(O)CNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C12H19N5O2/c1-3-8(4-2)9(18)7-13-10-5-6-11-14-15-12(19)17(11)16-10/h5-6,8-9,18H,3-4,7H2,1-2H3,(H,13,16)(H,15,19)
InChIKeyBRSVPMHNMKJLRV-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.63
Rot. Bonds6

About 6-[(3-ethyl-2-hydroxypentyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-[(3-ethyl-2-hydroxypentyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 103756841) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 6-[(3-ethyl-2-hydroxypentyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[(3-ethyl-2-hydroxypentyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID103756841
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name6-[(3-ethyl-2-hydroxypentyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCC(CC)C(O)CNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C12H19N5O2/c1-3-8(4-2)9(18)7-13-10-5-6-11-14-15-12(19)17(11)16-10/h5-6,8-9,18H,3-4,7H2,1-2H3,(H,13,16)(H,15,19)
InChIKeyBRSVPMHNMKJLRV-UHFFFAOYSA-N
XLogP0.63
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[(3-ethyl-2-hydroxypentyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one 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 6-[(3-ethyl-2-hydroxypentyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[(3-ethyl-2-hydroxypentyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 103756841) is 6-[(3-ethyl-2-hydroxypentyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[(3-ethyl-2-hydroxypentyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[(3-ethyl-2-hydroxypentyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CCC(CC)C(O)CNc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-[(3-ethyl-2-hydroxypentyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is BRSVPMHNMKJLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-3-8(4-2)9(18)7-13-10-5-6-11-14-15-12(19)17(11)16-10/h5-6,8-9,18H,3-4,7H2,1-2H3,(H,13,16)(H,15,19).
What are the key properties of 6-[(3-ethyl-2-hydroxypentyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[(3-ethyl-2-hydroxypentyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 265.32 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethyl-2-hydroxypentyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 103756841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).