N-(5-hydroxypentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide

C12H19N3O2 — CID 112548731

IUPACN-(5-hydroxypentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)CCCO)c(C)nn1
InChIInChI=1S/C12H19N3O2/c1-8(5-4-6-16)13-12(17)11-7-9(2)14-15-10(11)3/h7-8,16H,4-6H2,1-3H3,(H,13,17)
InChIKeyGBMIXENWAVLURE-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.98
Rot. Bonds5

About N-(5-hydroxypentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide

N-(5-hydroxypentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 112548731) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(5-hydroxypentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
PubChem CID112548731
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(5-hydroxypentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)CCCO)c(C)nn1
InChIInChI=1S/C12H19N3O2/c1-8(5-4-6-16)13-12(17)11-7-9(2)14-15-10(11)3/h7-8,16H,4-6H2,1-3H3,(H,13,17)
InChIKeyGBMIXENWAVLURE-UHFFFAOYSA-N
XLogP0.98
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671187
N-(4-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104668957
N-(4-aminopentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 113439579
N-(1-bromo-4-methylpentan-3-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 106355201
3,6-dimethyl-N-(3-oxobutan-2-yl)pyridazine-4-carboxamide
CID 104670537
N-(1-hydroxybutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 115875451
methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate
CID 104671773
N-(1-bromo-3-methylbutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104672746
2-chloro-N-(5-hydroxypentan-2-yl)-4,5-dimethylbenzamide
CID 110027430
3-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide
CID 82829372
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670487
N-(1-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104671527

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-(5-hydroxypentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide (CID 112548731) is N-(5-hydroxypentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(5-hydroxypentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(5-hydroxypentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)NC(C)CCCO)c(C)nn1.
What is the InChIKey of N-(5-hydroxypentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is GBMIXENWAVLURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(5-4-6-16)13-12(17)11-7-9(2)14-15-10(11)3/h7-8,16H,4-6H2,1-3H3,(H,13,17).
What are the key properties of N-(5-hydroxypentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide?
N-(5-hydroxypentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 112548731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).