N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide

C10H15N3O3 — CID 81041108

IUPACN-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCC(CCO)NC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C10H15N3O3/c1-7(5-6-14)11-10(16)8-3-4-9(15)13(2)12-8/h3-4,7,14H,5-6H2,1-2H3,(H,11,16)
InChIKeyUUGYZWQAJOOSLD-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.72
Rot. Bonds4

About N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide

N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 81041108) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID81041108
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCC(CCO)NC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C10H15N3O3/c1-7(5-6-14)11-10(16)8-3-4-9(15)13(2)12-8/h3-4,7,14H,5-6H2,1-2H3,(H,11,16)
InChIKeyUUGYZWQAJOOSLD-UHFFFAOYSA-N
XLogP-0.72
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 42443185
N-(4-hydroxy-1-methoxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 113264465
N-(2,3-dihydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 66176866
4-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
CID 43091764
(2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
CID 107562869
N-[(1R)-2-hydroxy-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103772693
2-[[(1-methyl-6-oxopyridazine-3-carbonyl)amino]methyl]butanoic acid
CID 65219750
N-(3-hydroxy-2-methylbutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 115884570
(2S)-4-amino-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-4-oxobutanoic acid
CID 61142499
N-[(3-hydroxycyclobutyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 66005592
tert-butyl (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoate
CID 81003471
N-(2-hydroxyethyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide
CID 60652659

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 81041108) is N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide is CC(CCO)NC(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is UUGYZWQAJOOSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7(5-6-14)11-10(16)8-3-4-9(15)13(2)12-8/h3-4,7,14H,5-6H2,1-2H3,(H,11,16).
What are the key properties of N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 81041108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).