3,4-diethyl-N-[3-(methylamino)propyl]-6-oxo-1H-pyridazine-5-carboxamide;hydrochloride

C13H23ClN4O2 — CID 119430603

IUPAC3,4-diethyl-N-[3-(methylamino)propyl]-6-oxo-1H-pyridazine-5-carboxamide;hydrochloride
SMILESCCc1n[nH]c(=O)c(C(=O)NCCCNC)c1CC.Cl
InChIInChI=1S/C13H22N4O2.ClH/c1-4-9-10(5-2)16-17-13(19)11(9)12(18)15-8-6-7-14-3;/h14H,4-8H2,1-3H3,(H,15,18)(H,17,19);1H
InChIKeyVRGUQOGUNWMITO-UHFFFAOYSA-N
MW302.81 g/mol
LogP0.66
Rot. Bonds7

About 3,4-diethyl-N-[3-(methylamino)propyl]-6-oxo-1H-pyridazine-5-carboxamide;hydrochloride

3,4-diethyl-N-[3-(methylamino)propyl]-6-oxo-1H-pyridazine-5-carboxamide;hydrochloride (PubChem CID 119430603) has the molecular formula C13H23ClN4O2 and a molecular weight of 302.81 g/mol. Its IUPAC name is 3,4-diethyl-N-[3-(methylamino)propyl]-6-oxo-1H-pyridazine-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name3,4-diethyl-N-[3-(methylamino)propyl]-6-oxo-1H-pyridazine-5-carboxamide;hydrochloride
PubChem CID119430603
Molecular FormulaC13H23ClN4O2
Molecular Weight302.81 g/mol
Exact Mass302.15
IUPAC Name3,4-diethyl-N-[3-(methylamino)propyl]-6-oxo-1H-pyridazine-5-carboxamide;hydrochloride
SMILESCCc1n[nH]c(=O)c(C(=O)NCCCNC)c1CC.Cl
InChIInChI=1S/C13H22N4O2.ClH/c1-4-9-10(5-2)16-17-13(19)11(9)12(18)15-8-6-7-14-3;/h14H,4-8H2,1-3H3,(H,15,18)(H,17,19);1H
InChIKeyVRGUQOGUNWMITO-UHFFFAOYSA-N
XLogP0.66
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-diethyl-6-oxo-N-(2-sulfanylethyl)-1H-pyridazine-5-carboxamide
CID 177680237
N-cycloheptyl-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 45885517
N-(3-amino-2,2-difluoropropyl)-3,4-diethyl-6-oxo-1H-pyridazine-5-carboxamide;hydrochloride
CID 120409249
N-(3-amino-2,2-difluoropropyl)-3,4-diethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 120409250
3,4-diethyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridazine-5-carboxamide;hydrochloride
CID 120810658
N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 137989522
3,4-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide
CID 167838598
3-amino-N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]propanamide;hydrochloride
CID 69239374
1-Propan-2-yl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione
CID 122697183
1-Methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione
CID 130250634
Ethane;1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione
CID 145188011
N-cyclohexyl-5,6-dimethyl-3-oxo-2,3-dihydropyridazine-4-carboxamide
CID 45883169

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-N-[3-(methylamino)propyl]-6-oxo-1H-pyridazine-5-carboxamide;hydrochloride?
The IUPAC name of 3,4-diethyl-N-[3-(methylamino)propyl]-6-oxo-1H-pyridazine-5-carboxamide;hydrochloride (CID 119430603) is 3,4-diethyl-N-[3-(methylamino)propyl]-6-oxo-1H-pyridazine-5-carboxamide;hydrochloride.
What is the SMILES notation for 3,4-diethyl-N-[3-(methylamino)propyl]-6-oxo-1H-pyridazine-5-carboxamide;hydrochloride?
The canonical SMILES for 3,4-diethyl-N-[3-(methylamino)propyl]-6-oxo-1H-pyridazine-5-carboxamide;hydrochloride is CCc1n[nH]c(=O)c(C(=O)NCCCNC)c1CC.Cl.
What is the InChIKey of 3,4-diethyl-N-[3-(methylamino)propyl]-6-oxo-1H-pyridazine-5-carboxamide;hydrochloride?
The InChIKey is VRGUQOGUNWMITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2.ClH/c1-4-9-10(5-2)16-17-13(19)11(9)12(18)15-8-6-7-14-3;/h14H,4-8H2,1-3H3,(H,15,18)(H,17,19);1H.
What are the key properties of 3,4-diethyl-N-[3-(methylamino)propyl]-6-oxo-1H-pyridazine-5-carboxamide;hydrochloride?
3,4-diethyl-N-[3-(methylamino)propyl]-6-oxo-1H-pyridazine-5-carboxamide;hydrochloride has a molecular weight of 302.81 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-N-[3-(methylamino)propyl]-6-oxo-1H-pyridazine-5-carboxamide;hydrochloride is sourced from PubChem (CID 119430603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).