N-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-carboxamide

C12H13N3O2S — CID 30948329

IUPACN-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-carboxamide
SMILESO=C(NCCCn1ncccc1=O)c1cccs1
InChIInChI=1S/C12H13N3O2S/c16-11-5-1-7-14-15(11)8-3-6-13-12(17)10-4-2-9-18-10/h1-2,4-5,7,9H,3,6,8H2,(H,13,17)
InChIKeyJYMARHGYMGAFGV-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.12
Rot. Bonds5

About N-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-carboxamide

N-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-carboxamide (PubChem CID 30948329) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-carboxamide
PubChem CID30948329
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-carboxamide
SMILESO=C(NCCCn1ncccc1=O)c1cccs1
InChIInChI=1S/C12H13N3O2S/c16-11-5-1-7-14-15(11)8-3-6-13-12(17)10-4-2-9-18-10/h1-2,4-5,7,9H,3,6,8H2,(H,13,17)
InChIKeyJYMARHGYMGAFGV-UHFFFAOYSA-N
XLogP1.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-carboxamide (CID 30948329) is N-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-carboxamide is O=C(NCCCn1ncccc1=O)c1cccs1.
What is the InChIKey of N-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-carboxamide?
The InChIKey is JYMARHGYMGAFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c16-11-5-1-7-14-15(11)8-3-6-13-12(17)10-4-2-9-18-10/h1-2,4-5,7,9H,3,6,8H2,(H,13,17).
What are the key properties of N-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-carboxamide?
N-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-oxopyridazin-1-yl)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 30948329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).