6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C12H17N5O2 — CID 115360732

IUPAC6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCC3(CO)CCCC3)nn12
InChIInChI=1S/C12H17N5O2/c18-8-12(5-1-2-6-12)7-13-9-3-4-10-14-15-11(19)17(10)16-9/h3-4,18H,1-2,5-8H2,(H,13,16)(H,15,19)
InChIKeyHTQRFHAWPSGHTQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.38
Rot. Bonds4

About 6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 115360732) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID115360732
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCC3(CO)CCCC3)nn12
InChIInChI=1S/C12H17N5O2/c18-8-12(5-1-2-6-12)7-13-9-3-4-10-14-15-11(19)17(10)16-9/h3-4,18H,1-2,5-8H2,(H,13,16)(H,15,19)
InChIKeyHTQRFHAWPSGHTQ-UHFFFAOYSA-N
XLogP0.38
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-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

Related Compounds

6-[[1-(aminomethyl)cyclohexyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 103970479
6-[(1-hydroxycyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282645
6-[(1-ethylcyclopropyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 113255968
6-[[1-(hydroxymethyl)cyclopentyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281861
6-[[1-(hydroxymethyl)cyclohexyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282056
6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 106102384
7-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 115360672
6-[[2-(hydroxymethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283816
6-(2-cyclopropylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283227
6-(2-phenylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283792
6-(3-hydroxybutylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 21494313
6-[(2-hydroxy-2-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282449

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 115360732) is 6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(NCC3(CO)CCCC3)nn12.
What is the InChIKey of 6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is HTQRFHAWPSGHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c18-8-12(5-1-2-6-12)7-13-9-3-4-10-14-15-11(19)17(10)16-9/h3-4,18H,1-2,5-8H2,(H,13,16)(H,15,19).
What are the key properties of 6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 263.30 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 115360732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).