4-(6-oxopyridazin-1-yl)-N-propan-2-ylbutanamide

C11H17N3O2 — CID 59706137

IUPAC4-(6-oxopyridazin-1-yl)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CCCn1ncccc1=O
InChIInChI=1S/C11H17N3O2/c1-9(2)13-10(15)5-4-8-14-11(16)6-3-7-12-14/h3,6-7,9H,4-5,8H2,1-2H3,(H,13,15)
InChIKeyGBSHFJKRRPAHJQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.55
Rot. Bonds5

About 4-(6-oxopyridazin-1-yl)-N-propan-2-ylbutanamide

4-(6-oxopyridazin-1-yl)-N-propan-2-ylbutanamide (PubChem CID 59706137) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(6-oxopyridazin-1-yl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-(6-oxopyridazin-1-yl)-N-propan-2-ylbutanamide
PubChem CID59706137
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-(6-oxopyridazin-1-yl)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CCCn1ncccc1=O
InChIInChI=1S/C11H17N3O2/c1-9(2)13-10(15)5-4-8-14-11(16)6-3-7-12-14/h3,6-7,9H,4-5,8H2,1-2H3,(H,13,15)
InChIKeyGBSHFJKRRPAHJQ-UHFFFAOYSA-N
XLogP0.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-oxopyridazin-1-yl)-N-propan-2-ylbutanamide?
The IUPAC name of 4-(6-oxopyridazin-1-yl)-N-propan-2-ylbutanamide (CID 59706137) is 4-(6-oxopyridazin-1-yl)-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-(6-oxopyridazin-1-yl)-N-propan-2-ylbutanamide?
The canonical SMILES for 4-(6-oxopyridazin-1-yl)-N-propan-2-ylbutanamide is CC(C)NC(=O)CCCn1ncccc1=O.
What is the InChIKey of 4-(6-oxopyridazin-1-yl)-N-propan-2-ylbutanamide?
The InChIKey is GBSHFJKRRPAHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-9(2)13-10(15)5-4-8-14-11(16)6-3-7-12-14/h3,6-7,9H,4-5,8H2,1-2H3,(H,13,15).
What are the key properties of 4-(6-oxopyridazin-1-yl)-N-propan-2-ylbutanamide?
4-(6-oxopyridazin-1-yl)-N-propan-2-ylbutanamide has a molecular weight of 223.28 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-oxopyridazin-1-yl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 59706137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).