N,N-diethyl-3-[(5-methylpyridazin-3-yl)amino]propanamide

C12H20N4O — CID 106549555

IUPACN,N-diethyl-3-[(5-methylpyridazin-3-yl)amino]propanamide
SMILESCCN(CC)C(=O)CCNc1cc(C)cnn1
InChIInChI=1S/C12H20N4O/c1-4-16(5-2)12(17)6-7-13-11-8-10(3)9-14-15-11/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKeyIPJWSPJMGYSKIH-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.46
Rot. Bonds6

About N,N-diethyl-3-[(5-methylpyridazin-3-yl)amino]propanamide

N,N-diethyl-3-[(5-methylpyridazin-3-yl)amino]propanamide (PubChem CID 106549555) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N,N-diethyl-3-[(5-methylpyridazin-3-yl)amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(5-methylpyridazin-3-yl)amino]propanamide
PubChem CID106549555
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN,N-diethyl-3-[(5-methylpyridazin-3-yl)amino]propanamide
SMILESCCN(CC)C(=O)CCNc1cc(C)cnn1
InChIInChI=1S/C12H20N4O/c1-4-16(5-2)12(17)6-7-13-11-8-10(3)9-14-15-11/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKeyIPJWSPJMGYSKIH-UHFFFAOYSA-N
XLogP1.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(3-methylbut-3-enyl)pyridazin-3-amine
CID 130908778
N-[2-[(5-methylpyridazin-3-yl)amino]ethyl]acetamide
CID 106549525
3-[(2-amino-6-methylpyrimidin-4-yl)amino]-N,N-diethylpropanamide
CID 113224877
N,N-diethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 137015428
ethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate
CID 60926074
N,N-diethyl-3-[[5-(propylamino)-3-pyridinyl]amino]propanamide
CID 104535849
6-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide
CID 79207468
N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106549356
N-but-3-ynyl-5-methylpyridazin-3-amine
CID 106549778
5-[(5-methylpyridazin-3-yl)amino]pentan-2-ol
CID 106128597
N'-(5-methylpyridazin-3-yl)pentane-1,5-diamine
CID 107323443
5-methyl-N-pent-3-ynylpyridazin-3-amine
CID 106550017

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(5-methylpyridazin-3-yl)amino]propanamide?
The IUPAC name of N,N-diethyl-3-[(5-methylpyridazin-3-yl)amino]propanamide (CID 106549555) is N,N-diethyl-3-[(5-methylpyridazin-3-yl)amino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[(5-methylpyridazin-3-yl)amino]propanamide?
The canonical SMILES for N,N-diethyl-3-[(5-methylpyridazin-3-yl)amino]propanamide is CCN(CC)C(=O)CCNc1cc(C)cnn1.
What is the InChIKey of N,N-diethyl-3-[(5-methylpyridazin-3-yl)amino]propanamide?
The InChIKey is IPJWSPJMGYSKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-16(5-2)12(17)6-7-13-11-8-10(3)9-14-15-11/h8-9H,4-7H2,1-3H3,(H,13,15).
What are the key properties of N,N-diethyl-3-[(5-methylpyridazin-3-yl)amino]propanamide?
N,N-diethyl-3-[(5-methylpyridazin-3-yl)amino]propanamide has a molecular weight of 236.32 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(5-methylpyridazin-3-yl)amino]propanamide is sourced from PubChem (CID 106549555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).