2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide

C13H20N4O2 — CID 103221884

IUPAC2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1ncc(NCC2CC2)cc1=O
InChIInChI=1S/C13H20N4O2/c1-9(2)16-12(18)8-17-13(19)5-11(7-15-17)14-6-10-3-4-10/h5,7,9-10,14H,3-4,6,8H2,1-2H3,(H,16,18)
InChIKeyDXKNFZBKQMAYJN-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.59
Rot. Bonds6

About 2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide

2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 103221884) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
PubChem CID103221884
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1ncc(NCC2CC2)cc1=O
InChIInChI=1S/C13H20N4O2/c1-9(2)16-12(18)8-17-13(19)5-11(7-15-17)14-6-10-3-4-10/h5,7,9-10,14H,3-4,6,8H2,1-2H3,(H,16,18)
InChIKeyDXKNFZBKQMAYJN-UHFFFAOYSA-N
XLogP0.59
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide (CID 103221884) is 2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1ncc(NCC2CC2)cc1=O.
What is the InChIKey of 2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is DXKNFZBKQMAYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(2)16-12(18)8-17-13(19)5-11(7-15-17)14-6-10-3-4-10/h5,7,9-10,14H,3-4,6,8H2,1-2H3,(H,16,18).
What are the key properties of 2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide?
2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 264.33 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 103221884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).