N-(4-hydroxybutan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C10H17N3O3 — CID 81047809

IUPACN-(4-hydroxybutan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(CCO)NC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C10H17N3O3/c1-7(5-6-14)11-10(16)8-3-4-9(15)13(2)12-8/h7,14H,3-6H2,1-2H3,(H,11,16)
InChIKeyYYXBSMJWMWCRDZ-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.52
Rot. Bonds4

About N-(4-hydroxybutan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-(4-hydroxybutan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 81047809) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID81047809
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-(4-hydroxybutan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(CCO)NC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C10H17N3O3/c1-7(5-6-14)11-10(16)8-3-4-9(15)13(2)12-8/h7,14H,3-6H2,1-2H3,(H,11,16)
InChIKeyYYXBSMJWMWCRDZ-UHFFFAOYSA-N
XLogP-0.52
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 81047809) is N-(4-hydroxybutan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CC(CCO)NC(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is YYXBSMJWMWCRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7(5-6-14)11-10(16)8-3-4-9(15)13(2)12-8/h7,14H,3-6H2,1-2H3,(H,11,16).
What are the key properties of N-(4-hydroxybutan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-(4-hydroxybutan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 227.26 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 81047809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).