N-ethyl-N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide

C12H19N3O3 — CID 115771592

IUPACN-ethyl-N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
SMILESCCN(CCCO)C(=O)c1c(C)c(C)n[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-4-15(6-5-7-16)12(18)10-8(2)9(3)13-14-11(10)17/h16H,4-7H2,1-3H3,(H,14,17)
InChIKeySPLGAVOKAQIODR-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.23
Rot. Bonds5

About N-ethyl-N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide

N-ethyl-N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 115771592) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID115771592
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-ethyl-N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
SMILESCCN(CCCO)C(=O)c1c(C)c(C)n[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-4-15(6-5-7-16)12(18)10-8(2)9(3)13-14-11(10)17/h16H,4-7H2,1-3H3,(H,14,17)
InChIKeySPLGAVOKAQIODR-UHFFFAOYSA-N
XLogP0.23
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide (CID 115771592) is N-ethyl-N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide is CCN(CCCO)C(=O)c1c(C)c(C)n[nH]c1=O.
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is SPLGAVOKAQIODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-15(6-5-7-16)12(18)10-8(2)9(3)13-14-11(10)17/h16H,4-7H2,1-3H3,(H,14,17).
What are the key properties of N-ethyl-N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
N-ethyl-N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 115771592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).