6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C12H16N6O — CID 66284001

IUPAC6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NC3CCN4CCCC34)nn12
InChIInChI=1S/C12H16N6O/c19-12-15-14-11-4-3-10(16-18(11)12)13-8-5-7-17-6-1-2-9(8)17/h3-4,8-9H,1-2,5-7H2,(H,13,16)(H,15,19)
InChIKeyHYWLARHQCPBMLS-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.07
Rot. Bonds2

About 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66284001) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66284001
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NC3CCN4CCCC34)nn12
InChIInChI=1S/C12H16N6O/c19-12-15-14-11-4-3-10(16-18(11)12)13-8-5-7-17-6-1-2-9(8)17/h3-4,8-9H,1-2,5-7H2,(H,13,16)(H,15,19)
InChIKeyHYWLARHQCPBMLS-UHFFFAOYSA-N
XLogP0.07
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

6-[(4-aminocyclohexyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281643
6-[(4,4-dimethylcyclohexyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283615
6-[(2,2-dimethylcyclohexyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 79870359
3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidine-2,6-dione
CID 66284011
6-[2-(cyclopropylamino)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283625
6-(2-cyclopropylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283227
6-[(3-ethoxycyclobutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 102609153
6-[(2-methylcyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66284395
6-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281706
N-pyridazin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62482243
6-[2-(aminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283446
6-[[1-(hydroxymethyl)cyclohexyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282056

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 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) is 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(NC3CCN4CCCC34)nn12.
What is the InChIKey of 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is HYWLARHQCPBMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c19-12-15-14-11-4-3-10(16-18(11)12)13-8-5-7-17-6-1-2-9(8)17/h3-4,8-9H,1-2,5-7H2,(H,13,16)(H,15,19).
What are the key properties of 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 260.30 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66284001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).