N,N-dimethyl-3-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]propanamide

C12H21N5O2 — CID 103223723

IUPACN,N-dimethyl-3-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]propanamide
SMILESCNCCNc1cnn(CCC(=O)N(C)C)c(=O)c1
InChIInChI=1S/C12H21N5O2/c1-13-5-6-14-10-8-12(19)17(15-9-10)7-4-11(18)16(2)3/h8-9,13-14H,4-7H2,1-3H3
InChIKeyLIKFJHHZJSIJPQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.65
Rot. Bonds7

About N,N-dimethyl-3-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]propanamide

N,N-dimethyl-3-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]propanamide (PubChem CID 103223723) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]propanamide
PubChem CID103223723
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN,N-dimethyl-3-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]propanamide
SMILESCNCCNc1cnn(CCC(=O)N(C)C)c(=O)c1
InChIInChI=1S/C12H21N5O2/c1-13-5-6-14-10-8-12(19)17(15-9-10)7-4-11(18)16(2)3/h8-9,13-14H,4-7H2,1-3H3
InChIKeyLIKFJHHZJSIJPQ-UHFFFAOYSA-N
XLogP-0.65
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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,N-dimethyl-3-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of N,N-dimethyl-3-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]propanamide (CID 103223723) is N,N-dimethyl-3-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]propanamide is CNCCNc1cnn(CCC(=O)N(C)C)c(=O)c1.
What is the InChIKey of N,N-dimethyl-3-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]propanamide?
The InChIKey is LIKFJHHZJSIJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-13-5-6-14-10-8-12(19)17(15-9-10)7-4-11(18)16(2)3/h8-9,13-14H,4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]propanamide?
N,N-dimethyl-3-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]propanamide has a molecular weight of 267.33 g/mol, XLogP of -0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 103223723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).