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

C10H14N6O — CID 66283446

IUPAC6-[2-(aminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESNCC1CCCN1c1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C10H14N6O/c11-6-7-2-1-5-15(7)9-4-3-8-12-13-10(17)16(8)14-9/h3-4,7H,1-2,5-6,11H2,(H,13,17)
InChIKeyDIVHSRLMFPFSNU-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.65
Rot. Bonds2

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

6-[2-(aminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66283446) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 6-[2-(aminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[2-(aminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66283446
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name6-[2-(aminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESNCC1CCCN1c1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C10H14N6O/c11-6-7-2-1-5-15(7)9-4-3-8-12-13-10(17)16(8)14-9/h3-4,7H,1-2,5-6,11H2,(H,13,17)
InChIKeyDIVHSRLMFPFSNU-UHFFFAOYSA-N
XLogP-0.65
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(bromomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 80667736
6-[2-(ethylaminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66284428
6-[2-(2-hydroxyethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282272
6-[2-(propylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281496
6-[3-(aminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283978
6-(3-bromopiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 80673252
[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-2-yl]methanamine
CID 106950588
1-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboximidamide
CID 66284380
6-[4-(propylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66268796
4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136978971
[1-(2-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 71644669
6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66284001

Frequently Asked Questions

What is the IUPAC name of 6-[2-(aminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[2-(aminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66283446) is 6-[2-(aminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[2-(aminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[2-(aminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is NCC1CCCN1c1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-[2-(aminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is DIVHSRLMFPFSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c11-6-7-2-1-5-15(7)9-4-3-8-12-13-10(17)16(8)14-9/h3-4,7H,1-2,5-6,11H2,(H,13,17).
What are the key properties of 6-[2-(aminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[2-(aminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 234.26 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(aminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66283446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).