3-ethyl-N-(3-hydroxycyclobutyl)-6-methylpyridazine-4-carboxamide

C12H17N3O2 — CID 113439347

IUPAC3-ethyl-N-(3-hydroxycyclobutyl)-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NC1CC(O)C1
InChIInChI=1S/C12H17N3O2/c1-3-11-10(4-7(2)14-15-11)12(17)13-8-5-9(16)6-8/h4,8-9,16H,3,5-6H2,1-2H3,(H,13,17)
InChIKeyRDXHCMRBWHORKV-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.60
Rot. Bonds3

About 3-ethyl-N-(3-hydroxycyclobutyl)-6-methylpyridazine-4-carboxamide

3-ethyl-N-(3-hydroxycyclobutyl)-6-methylpyridazine-4-carboxamide (PubChem CID 113439347) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-ethyl-N-(3-hydroxycyclobutyl)-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(3-hydroxycyclobutyl)-6-methylpyridazine-4-carboxamide
PubChem CID113439347
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-ethyl-N-(3-hydroxycyclobutyl)-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NC1CC(O)C1
InChIInChI=1S/C12H17N3O2/c1-3-11-10(4-7(2)14-15-11)12(17)13-8-5-9(16)6-8/h4,8-9,16H,3,5-6H2,1-2H3,(H,13,17)
InChIKeyRDXHCMRBWHORKV-UHFFFAOYSA-N
XLogP0.60
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671254
N-[2-(chloromethyl)cyclohexyl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 106366828
3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
CID 104624852
N-(3-chloropropyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104670847
3-ethyl-6-methyl-N-(2-methylpropoxy)pyridazine-4-carboxamide
CID 104624588
2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-2-methylpropanoic acid
CID 104669542
N-(5-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 113439081
N-(6-chlorohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107847354
N-(6-bromohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107847967
1-(3-ethyl-6-methylpyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104669366
3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridazine-4-carboxamide
CID 104624859
N-(3-amino-4-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669073

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-hydroxycyclobutyl)-6-methylpyridazine-4-carboxamide?
The IUPAC name of 3-ethyl-N-(3-hydroxycyclobutyl)-6-methylpyridazine-4-carboxamide (CID 113439347) is 3-ethyl-N-(3-hydroxycyclobutyl)-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-(3-hydroxycyclobutyl)-6-methylpyridazine-4-carboxamide?
The canonical SMILES for 3-ethyl-N-(3-hydroxycyclobutyl)-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)NC1CC(O)C1.
What is the InChIKey of 3-ethyl-N-(3-hydroxycyclobutyl)-6-methylpyridazine-4-carboxamide?
The InChIKey is RDXHCMRBWHORKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-11-10(4-7(2)14-15-11)12(17)13-8-5-9(16)6-8/h4,8-9,16H,3,5-6H2,1-2H3,(H,13,17).
What are the key properties of 3-ethyl-N-(3-hydroxycyclobutyl)-6-methylpyridazine-4-carboxamide?
3-ethyl-N-(3-hydroxycyclobutyl)-6-methylpyridazine-4-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-hydroxycyclobutyl)-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 113439347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).