2-[[4-(cyclopropylamino)-6-oxopyridazin-1-yl]methyl]benzamide

C15H16N4O2 — CID 103219751

IUPAC2-[[4-(cyclopropylamino)-6-oxopyridazin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccccc1Cn1ncc(NC2CC2)cc1=O
InChIInChI=1S/C15H16N4O2/c16-15(21)13-4-2-1-3-10(13)9-19-14(20)7-12(8-17-19)18-11-5-6-11/h1-4,7-8,11,18H,5-6,9H2,(H2,16,21)
InChIKeyRBVHJFXPSSXVFS-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.96
Rot. Bonds5

About 2-[[4-(cyclopropylamino)-6-oxopyridazin-1-yl]methyl]benzamide

2-[[4-(cyclopropylamino)-6-oxopyridazin-1-yl]methyl]benzamide (PubChem CID 103219751) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[[4-(cyclopropylamino)-6-oxopyridazin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[[4-(cyclopropylamino)-6-oxopyridazin-1-yl]methyl]benzamide
PubChem CID103219751
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-[[4-(cyclopropylamino)-6-oxopyridazin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccccc1Cn1ncc(NC2CC2)cc1=O
InChIInChI=1S/C15H16N4O2/c16-15(21)13-4-2-1-3-10(13)9-19-14(20)7-12(8-17-19)18-11-5-6-11/h1-4,7-8,11,18H,5-6,9H2,(H2,16,21)
InChIKeyRBVHJFXPSSXVFS-UHFFFAOYSA-N
XLogP0.96
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopropylamino)-6-oxopyridazin-1-yl]methyl]benzamide?
The IUPAC name of 2-[[4-(cyclopropylamino)-6-oxopyridazin-1-yl]methyl]benzamide (CID 103219751) is 2-[[4-(cyclopropylamino)-6-oxopyridazin-1-yl]methyl]benzamide.
What is the SMILES notation for 2-[[4-(cyclopropylamino)-6-oxopyridazin-1-yl]methyl]benzamide?
The canonical SMILES for 2-[[4-(cyclopropylamino)-6-oxopyridazin-1-yl]methyl]benzamide is NC(=O)c1ccccc1Cn1ncc(NC2CC2)cc1=O.
What is the InChIKey of 2-[[4-(cyclopropylamino)-6-oxopyridazin-1-yl]methyl]benzamide?
The InChIKey is RBVHJFXPSSXVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c16-15(21)13-4-2-1-3-10(13)9-19-14(20)7-12(8-17-19)18-11-5-6-11/h1-4,7-8,11,18H,5-6,9H2,(H2,16,21).
What are the key properties of 2-[[4-(cyclopropylamino)-6-oxopyridazin-1-yl]methyl]benzamide?
2-[[4-(cyclopropylamino)-6-oxopyridazin-1-yl]methyl]benzamide has a molecular weight of 284.32 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopropylamino)-6-oxopyridazin-1-yl]methyl]benzamide is sourced from PubChem (CID 103219751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).