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

C12H17N5O2 — CID 66282645

IUPAC6-[(1-hydroxycyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCC3(O)CCCCC3)nn12
InChIInChI=1S/C12H17N5O2/c18-11-15-14-10-5-4-9(16-17(10)11)13-8-12(19)6-2-1-3-7-12/h4-5,19H,1-3,6-8H2,(H,13,16)(H,15,18)
InChIKeyJKAWDTWOPAHOPJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.52
Rot. Bonds3

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

6-[(1-hydroxycyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66282645) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-[(1-hydroxycyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[(1-hydroxycyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66282645
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name6-[(1-hydroxycyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCC3(O)CCCCC3)nn12
InChIInChI=1S/C12H17N5O2/c18-11-15-14-10-5-4-9(16-17(10)11)13-8-12(19)6-2-1-3-7-12/h4-5,19H,1-3,6-8H2,(H,13,16)(H,15,18)
InChIKeyJKAWDTWOPAHOPJ-UHFFFAOYSA-N
XLogP0.52
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[(1-hydroxycyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one with MolForge

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Related Compounds

6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 115360732
6-[[1-(aminomethyl)cyclohexyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 103970479
6-[(1-ethylcyclopropyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 113255968
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
6-[[1-(hydroxymethyl)cyclopentyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281861
1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cycloheptan-1-ol
CID 78993011
1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclohexan-1-ol
CID 78990679
6-[[2-(hydroxymethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283816
6-[(2-methylcyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66284395
6-(2-cyclopropylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283227
6-[2-(cyclopropylamino)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283625

Frequently Asked Questions

What is the IUPAC name of 6-[(1-hydroxycyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[(1-hydroxycyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66282645) is 6-[(1-hydroxycyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[(1-hydroxycyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[(1-hydroxycyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(NCC3(O)CCCCC3)nn12.
What is the InChIKey of 6-[(1-hydroxycyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is JKAWDTWOPAHOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c18-11-15-14-10-5-4-9(16-17(10)11)13-8-12(19)6-2-1-3-7-12/h4-5,19H,1-3,6-8H2,(H,13,16)(H,15,18).
What are the key properties of 6-[(1-hydroxycyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[(1-hydroxycyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 263.30 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-hydroxycyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66282645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).