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

C13H20N6O — CID 103970479

IUPAC6-[[1-(aminomethyl)cyclohexyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESNCC1(CNc2ccc3n[nH]c(=O)n3n2)CCCCC1
InChIInChI=1S/C13H20N6O/c14-8-13(6-2-1-3-7-13)9-15-10-4-5-11-16-17-12(20)19(11)18-10/h4-5H,1-3,6-9,14H2,(H,15,18)(H,17,20)
InChIKeyFWYWRAIVAWYENW-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.74
Rot. Bonds4

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

6-[[1-(aminomethyl)cyclohexyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 103970479) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-[[1-(aminomethyl)cyclohexyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[[1-(aminomethyl)cyclohexyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID103970479
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name6-[[1-(aminomethyl)cyclohexyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESNCC1(CNc2ccc3n[nH]c(=O)n3n2)CCCCC1
InChIInChI=1S/C13H20N6O/c14-8-13(6-2-1-3-7-13)9-15-10-4-5-11-16-17-12(20)19(11)18-10/h4-5H,1-3,6-9,14H2,(H,15,18)(H,17,20)
InChIKeyFWYWRAIVAWYENW-UHFFFAOYSA-N
XLogP0.74
TPSA101.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(aminomethyl)cyclohexyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[[1-(aminomethyl)cyclohexyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 103970479) is 6-[[1-(aminomethyl)cyclohexyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[[1-(aminomethyl)cyclohexyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[[1-(aminomethyl)cyclohexyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is NCC1(CNc2ccc3n[nH]c(=O)n3n2)CCCCC1.
What is the InChIKey of 6-[[1-(aminomethyl)cyclohexyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is FWYWRAIVAWYENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c14-8-13(6-2-1-3-7-13)9-15-10-4-5-11-16-17-12(20)19(11)18-10/h4-5H,1-3,6-9,14H2,(H,15,18)(H,17,20).
What are the key properties of 6-[[1-(aminomethyl)cyclohexyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[[1-(aminomethyl)cyclohexyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 276.34 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(aminomethyl)cyclohexyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 103970479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).