4-(6-oxopyridazin-1-yl)pyrrolidine-2-carboxamide

C9H12N4O2 — CID 175943695

IUPAC4-(6-oxopyridazin-1-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(n2ncccc2=O)CN1
InChIInChI=1S/C9H12N4O2/c10-9(15)7-4-6(5-11-7)13-8(14)2-1-3-12-13/h1-3,6-7,11H,4-5H2,(H2,10,15)
InChIKeyKSTHQCUYUAXQOK-UHFFFAOYSA-N
MW208.22 g/mol
LogP-1.37
Rot. Bonds2

About 4-(6-oxopyridazin-1-yl)pyrrolidine-2-carboxamide

4-(6-oxopyridazin-1-yl)pyrrolidine-2-carboxamide (PubChem CID 175943695) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-(6-oxopyridazin-1-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-(6-oxopyridazin-1-yl)pyrrolidine-2-carboxamide
PubChem CID175943695
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name4-(6-oxopyridazin-1-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(n2ncccc2=O)CN1
InChIInChI=1S/C9H12N4O2/c10-9(15)7-4-6(5-11-7)13-8(14)2-1-3-12-13/h1-3,6-7,11H,4-5H2,(H2,10,15)
InChIKeyKSTHQCUYUAXQOK-UHFFFAOYSA-N
XLogP-1.37
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-oxopyridazin-1-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-(6-oxopyridazin-1-yl)pyrrolidine-2-carboxamide (CID 175943695) is 4-(6-oxopyridazin-1-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-(6-oxopyridazin-1-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-(6-oxopyridazin-1-yl)pyrrolidine-2-carboxamide is NC(=O)C1CC(n2ncccc2=O)CN1.
What is the InChIKey of 4-(6-oxopyridazin-1-yl)pyrrolidine-2-carboxamide?
The InChIKey is KSTHQCUYUAXQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-9(15)7-4-6(5-11-7)13-8(14)2-1-3-12-13/h1-3,6-7,11H,4-5H2,(H2,10,15).
What are the key properties of 4-(6-oxopyridazin-1-yl)pyrrolidine-2-carboxamide?
4-(6-oxopyridazin-1-yl)pyrrolidine-2-carboxamide has a molecular weight of 208.22 g/mol, XLogP of -1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-oxopyridazin-1-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 175943695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).