2-(3-chloro-6-oxopyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide

C10H15ClN4O2 — CID 52903193

IUPAC2-(3-chloro-6-oxopyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)Cn1nc(Cl)ccc1=O
InChIInChI=1S/C10H15ClN4O2/c1-14(2)6-5-12-9(16)7-15-10(17)4-3-8(11)13-15/h3-4H,5-7H2,1-2H3,(H,12,16)
InChIKeyYLOBNNLRSCQYAR-UHFFFAOYSA-N
MW258.71 g/mol
LogP-0.43
Rot. Bonds5

About 2-(3-chloro-6-oxopyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide

2-(3-chloro-6-oxopyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 52903193) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-(3-chloro-6-oxopyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-6-oxopyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID52903193
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name2-(3-chloro-6-oxopyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)Cn1nc(Cl)ccc1=O
InChIInChI=1S/C10H15ClN4O2/c1-14(2)6-5-12-9(16)7-15-10(17)4-3-8(11)13-15/h3-4H,5-7H2,1-2H3,(H,12,16)
InChIKeyYLOBNNLRSCQYAR-UHFFFAOYSA-N
XLogP-0.43
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-6-oxopyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-(3-chloro-6-oxopyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide (CID 52903193) is 2-(3-chloro-6-oxopyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(3-chloro-6-oxopyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-(3-chloro-6-oxopyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide is CN(C)CCNC(=O)Cn1nc(Cl)ccc1=O.
What is the InChIKey of 2-(3-chloro-6-oxopyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is YLOBNNLRSCQYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-14(2)6-5-12-9(16)7-15-10(17)4-3-8(11)13-15/h3-4H,5-7H2,1-2H3,(H,12,16).
What are the key properties of 2-(3-chloro-6-oxopyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide?
2-(3-chloro-6-oxopyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 258.71 g/mol, XLogP of -0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-6-oxopyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 52903193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).