N-(1-hydroxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

C12H19N3O4 — CID 43417991

IUPACN-(1-hydroxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCCC(CO)NC(=O)c1ccc(=O)n(CCOC)n1
InChIInChI=1S/C12H19N3O4/c1-3-9(8-16)13-12(18)10-4-5-11(17)15(14-10)6-7-19-2/h4-5,9,16H,3,6-8H2,1-2H3,(H,13,18)
InChIKeyBCFAACFFGHZXHE-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.61
Rot. Bonds7

About N-(1-hydroxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

N-(1-hydroxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 43417991) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
PubChem CID43417991
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC NameN-(1-hydroxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCCC(CO)NC(=O)c1ccc(=O)n(CCOC)n1
InChIInChI=1S/C12H19N3O4/c1-3-9(8-16)13-12(18)10-4-5-11(17)15(14-10)6-7-19-2/h4-5,9,16H,3,6-8H2,1-2H3,(H,13,18)
InChIKeyBCFAACFFGHZXHE-UHFFFAOYSA-N
XLogP-0.61
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (CID 43417991) is N-(1-hydroxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is CCC(CO)NC(=O)c1ccc(=O)n(CCOC)n1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is BCFAACFFGHZXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-3-9(8-16)13-12(18)10-4-5-11(17)15(14-10)6-7-19-2/h4-5,9,16H,3,6-8H2,1-2H3,(H,13,18).
What are the key properties of N-(1-hydroxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
N-(1-hydroxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 269.30 g/mol, XLogP of -0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 43417991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).