N-(2-hydroxypentyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide

C12H19N3O3 — CID 115700686

IUPACN-(2-hydroxypentyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
SMILESCCCC(O)CNC(=O)c1c(C)c(C)n[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-4-5-9(16)6-13-11(17)10-7(2)8(3)14-15-12(10)18/h9,16H,4-6H2,1-3H3,(H,13,17)(H,15,18)
InChIKeyRBXGMUVCEBPEPJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.28
Rot. Bonds5

About N-(2-hydroxypentyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide

N-(2-hydroxypentyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 115700686) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(2-hydroxypentyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypentyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID115700686
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-(2-hydroxypentyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
SMILESCCCC(O)CNC(=O)c1c(C)c(C)n[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-4-5-9(16)6-13-11(17)10-7(2)8(3)14-15-12(10)18/h9,16H,4-6H2,1-3H3,(H,13,17)(H,15,18)
InChIKeyRBXGMUVCEBPEPJ-UHFFFAOYSA-N
XLogP0.28
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypentyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of N-(2-hydroxypentyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide (CID 115700686) is N-(2-hydroxypentyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-(2-hydroxypentyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-(2-hydroxypentyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide is CCCC(O)CNC(=O)c1c(C)c(C)n[nH]c1=O.
What is the InChIKey of N-(2-hydroxypentyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is RBXGMUVCEBPEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-5-9(16)6-13-11(17)10-7(2)8(3)14-15-12(10)18/h9,16H,4-6H2,1-3H3,(H,13,17)(H,15,18).
What are the key properties of N-(2-hydroxypentyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
N-(2-hydroxypentyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypentyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 115700686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).