2,2-dimethyl-3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide

C10H14N6O2 — CID 103755915

IUPAC2,2-dimethyl-3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide
SMILESCC(C)(CNc1ccc2n[nH]c(=O)n2n1)C(N)=O
InChIInChI=1S/C10H14N6O2/c1-10(2,8(11)17)5-12-6-3-4-7-13-14-9(18)16(7)15-6/h3-4H,5H2,1-2H3,(H2,11,17)(H,12,15)(H,14,18)
InChIKeyALVASOLPHKOGOI-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.66
Rot. Bonds4

About 2,2-dimethyl-3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide

2,2-dimethyl-3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide (PubChem CID 103755915) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide
PubChem CID103755915
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name2,2-dimethyl-3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide
SMILESCC(C)(CNc1ccc2n[nH]c(=O)n2n1)C(N)=O
InChIInChI=1S/C10H14N6O2/c1-10(2,8(11)17)5-12-6-3-4-7-13-14-9(18)16(7)15-6/h3-4H,5H2,1-2H3,(H2,11,17)(H,12,15)(H,14,18)
InChIKeyALVASOLPHKOGOI-UHFFFAOYSA-N
XLogP-0.66
TPSA118.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide?
The IUPAC name of 2,2-dimethyl-3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide (CID 103755915) is 2,2-dimethyl-3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide is CC(C)(CNc1ccc2n[nH]c(=O)n2n1)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide?
The InChIKey is ALVASOLPHKOGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-10(2,8(11)17)5-12-6-3-4-7-13-14-9(18)16(7)15-6/h3-4H,5H2,1-2H3,(H2,11,17)(H,12,15)(H,14,18).
What are the key properties of 2,2-dimethyl-3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide?
2,2-dimethyl-3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide has a molecular weight of 250.26 g/mol, XLogP of -0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide is sourced from PubChem (CID 103755915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).