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

C10H16N6O — CID 66283629

IUPAC6-[(2-amino-3-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC(C)C(N)CNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C10H16N6O/c1-6(2)7(11)5-12-8-3-4-9-13-14-10(17)16(9)15-8/h3-4,6-7H,5,11H2,1-2H3,(H,12,15)(H,14,17)
InChIKeyRENXBCZBHRLEMH-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.19
Rot. Bonds4

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

6-[(2-amino-3-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66283629) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is 6-[(2-amino-3-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[(2-amino-3-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66283629
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name6-[(2-amino-3-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC(C)C(N)CNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C10H16N6O/c1-6(2)7(11)5-12-8-3-4-9-13-14-10(17)16(9)15-8/h3-4,6-7H,5,11H2,1-2H3,(H,12,15)(H,14,17)
InChIKeyRENXBCZBHRLEMH-UHFFFAOYSA-N
XLogP-0.19
TPSA101.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-3-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[(2-amino-3-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66283629) is 6-[(2-amino-3-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[(2-amino-3-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[(2-amino-3-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CC(C)C(N)CNc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-[(2-amino-3-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is RENXBCZBHRLEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c1-6(2)7(11)5-12-8-3-4-9-13-14-10(17)16(9)15-8/h3-4,6-7H,5,11H2,1-2H3,(H,12,15)(H,14,17).
What are the key properties of 6-[(2-amino-3-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[(2-amino-3-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 236.28 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-3-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66283629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).