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

C12H18N6O — CID 66282100

IUPAC6-[[2-(aminomethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESNCC1CCCC1CNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C12H18N6O/c13-6-8-2-1-3-9(8)7-14-10-4-5-11-15-16-12(19)18(11)17-10/h4-5,8-9H,1-3,6-7,13H2,(H,14,17)(H,16,19)
InChIKeyOCJJBITVRBYYAV-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.20
Rot. Bonds4

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

6-[[2-(aminomethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66282100) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 6-[[2-(aminomethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[[2-(aminomethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66282100
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name6-[[2-(aminomethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESNCC1CCCC1CNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C12H18N6O/c13-6-8-2-1-3-9(8)7-14-10-4-5-11-15-16-12(19)18(11)17-10/h4-5,8-9H,1-3,6-7,13H2,(H,14,17)(H,16,19)
InChIKeyOCJJBITVRBYYAV-UHFFFAOYSA-N
XLogP0.20
TPSA101.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(aminomethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[[2-(aminomethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66282100) is 6-[[2-(aminomethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[[2-(aminomethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[[2-(aminomethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is NCC1CCCC1CNc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-[[2-(aminomethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is OCJJBITVRBYYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c13-6-8-2-1-3-9(8)7-14-10-4-5-11-15-16-12(19)18(11)17-10/h4-5,8-9H,1-3,6-7,13H2,(H,14,17)(H,16,19).
What are the key properties of 6-[[2-(aminomethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[[2-(aminomethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 262.32 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(aminomethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66282100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).