N-[2-(6-oxopyridazin-1-yl)ethyl]cyclopentanecarboxamide

C12H17N3O2 — CID 42226687

IUPACN-[2-(6-oxopyridazin-1-yl)ethyl]cyclopentanecarboxamide
SMILESO=C(NCCn1ncccc1=O)C1CCCC1
InChIInChI=1S/C12H17N3O2/c16-11-6-3-7-14-15(11)9-8-13-12(17)10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2,(H,13,17)
InChIKeyQYCUQFCZDQLCTO-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.55
Rot. Bonds4

About N-[2-(6-oxopyridazin-1-yl)ethyl]cyclopentanecarboxamide

N-[2-(6-oxopyridazin-1-yl)ethyl]cyclopentanecarboxamide (PubChem CID 42226687) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[2-(6-oxopyridazin-1-yl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(6-oxopyridazin-1-yl)ethyl]cyclopentanecarboxamide
PubChem CID42226687
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-[2-(6-oxopyridazin-1-yl)ethyl]cyclopentanecarboxamide
SMILESO=C(NCCn1ncccc1=O)C1CCCC1
InChIInChI=1S/C12H17N3O2/c16-11-6-3-7-14-15(11)9-8-13-12(17)10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2,(H,13,17)
InChIKeyQYCUQFCZDQLCTO-UHFFFAOYSA-N
XLogP0.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxopyridazin-1-yl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(6-oxopyridazin-1-yl)ethyl]cyclopentanecarboxamide (CID 42226687) is N-[2-(6-oxopyridazin-1-yl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(6-oxopyridazin-1-yl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(6-oxopyridazin-1-yl)ethyl]cyclopentanecarboxamide is O=C(NCCn1ncccc1=O)C1CCCC1.
What is the InChIKey of N-[2-(6-oxopyridazin-1-yl)ethyl]cyclopentanecarboxamide?
The InChIKey is QYCUQFCZDQLCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-11-6-3-7-14-15(11)9-8-13-12(17)10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2,(H,13,17).
What are the key properties of N-[2-(6-oxopyridazin-1-yl)ethyl]cyclopentanecarboxamide?
N-[2-(6-oxopyridazin-1-yl)ethyl]cyclopentanecarboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxopyridazin-1-yl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 42226687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).