3,3-dimethyl-N-pyridazin-4-ylbutanamide

C10H15N3O — CID 138533846

IUPAC3,3-dimethyl-N-pyridazin-4-ylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccnnc1
InChIInChI=1S/C10H15N3O/c1-10(2,3)6-9(14)13-8-4-5-11-12-7-8/h4-5,7H,6H2,1-3H3,(H,11,13,14)
InChIKeyIQUMIHPTOJOWQZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.85
Rot. Bonds2

About 3,3-dimethyl-N-pyridazin-4-ylbutanamide

3,3-dimethyl-N-pyridazin-4-ylbutanamide (PubChem CID 138533846) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3,3-dimethyl-N-pyridazin-4-ylbutanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-pyridazin-4-ylbutanamide
PubChem CID138533846
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3,3-dimethyl-N-pyridazin-4-ylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccnnc1
InChIInChI=1S/C10H15N3O/c1-10(2,3)6-9(14)13-8-4-5-11-12-7-8/h4-5,7H,6H2,1-3H3,(H,11,13,14)
InChIKeyIQUMIHPTOJOWQZ-UHFFFAOYSA-N
XLogP1.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-pyridazin-4-ylbutanamide?
The IUPAC name of 3,3-dimethyl-N-pyridazin-4-ylbutanamide (CID 138533846) is 3,3-dimethyl-N-pyridazin-4-ylbutanamide.
What is the SMILES notation for 3,3-dimethyl-N-pyridazin-4-ylbutanamide?
The canonical SMILES for 3,3-dimethyl-N-pyridazin-4-ylbutanamide is CC(C)(C)CC(=O)Nc1ccnnc1.
What is the InChIKey of 3,3-dimethyl-N-pyridazin-4-ylbutanamide?
The InChIKey is IQUMIHPTOJOWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-10(2,3)6-9(14)13-8-4-5-11-12-7-8/h4-5,7H,6H2,1-3H3,(H,11,13,14).
What are the key properties of 3,3-dimethyl-N-pyridazin-4-ylbutanamide?
3,3-dimethyl-N-pyridazin-4-ylbutanamide has a molecular weight of 193.25 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-pyridazin-4-ylbutanamide is sourced from PubChem (CID 138533846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).