3-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide

C12H21N5O2 — CID 103223512

IUPAC3-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCn1ncc(N(C)CCN)cc1=O
InChIInChI=1S/C12H21N5O2/c1-15(2)11(18)4-6-17-12(19)8-10(9-14-17)16(3)7-5-13/h8-9H,4-7,13H2,1-3H3
InChIKeyQJZXGOLJVAWABI-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.88
Rot. Bonds6

About 3-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide

3-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide (PubChem CID 103223512) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide
PubChem CID103223512
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name3-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCn1ncc(N(C)CCN)cc1=O
InChIInChI=1S/C12H21N5O2/c1-15(2)11(18)4-6-17-12(19)8-10(9-14-17)16(3)7-5-13/h8-9H,4-7,13H2,1-3H3
InChIKeyQJZXGOLJVAWABI-UHFFFAOYSA-N
XLogP-0.88
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide (CID 103223512) is 3-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide is CN(C)C(=O)CCn1ncc(N(C)CCN)cc1=O.
What is the InChIKey of 3-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide?
The InChIKey is QJZXGOLJVAWABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-15(2)11(18)4-6-17-12(19)8-10(9-14-17)16(3)7-5-13/h8-9H,4-7,13H2,1-3H3.
What are the key properties of 3-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide?
3-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide has a molecular weight of 267.33 g/mol, XLogP of -0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 103223512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).