N-(2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide

C9H13N3O3 — CID 43391159

IUPACN-(2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCC(O)CNC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C9H13N3O3/c1-6(13)5-10-9(15)7-3-4-8(14)12(2)11-7/h3-4,6,13H,5H2,1-2H3,(H,10,15)
InChIKeyTWMQTRADHPFIAN-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.11
Rot. Bonds3

About N-(2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide

N-(2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 43391159) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID43391159
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-(2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCC(O)CNC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C9H13N3O3/c1-6(13)5-10-9(15)7-3-4-8(14)12(2)11-7/h3-4,6,13H,5H2,1-2H3,(H,10,15)
InChIKeyTWMQTRADHPFIAN-UHFFFAOYSA-N
XLogP-1.11
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 43391159) is N-(2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide is CC(O)CNC(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of N-(2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is TWMQTRADHPFIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6(13)5-10-9(15)7-3-4-8(14)12(2)11-7/h3-4,6,13H,5H2,1-2H3,(H,10,15).
What are the key properties of N-(2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-(2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 43391159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).