N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-ethyl-6-methylpyridazine-4-carboxamide

C13H18N4O — CID 104671254

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NC1C2CNCC21
InChIInChI=1S/C13H18N4O/c1-3-11-8(4-7(2)16-17-11)13(18)15-12-9-5-14-6-10(9)12/h4,9-10,12,14H,3,5-6H2,1-2H3,(H,15,18)
InChIKeyIWIVALRWNRFVBY-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.30
Rot. Bonds3

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-ethyl-6-methylpyridazine-4-carboxamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-ethyl-6-methylpyridazine-4-carboxamide (PubChem CID 104671254) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-ethyl-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
PubChem CID104671254
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NC1C2CNCC21
InChIInChI=1S/C13H18N4O/c1-3-11-8(4-7(2)16-17-11)13(18)15-12-9-5-14-6-10(9)12/h4,9-10,12,14H,3,5-6H2,1-2H3,(H,15,18)
InChIKeyIWIVALRWNRFVBY-UHFFFAOYSA-N
XLogP0.30
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-(3-hydroxycyclobutyl)-6-methylpyridazine-4-carboxamide
CID 113439347
(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104671599
3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
CID 104624852
N-[2-(chloromethyl)cyclohexyl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 106366828
3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671356
3-ethyl-6-methyl-N-(4-methylpiperidin-4-yl)pyridazine-4-carboxamide
CID 114696597
3-ethyl-6-methyl-N-(1-piperidin-3-ylethyl)pyridazine-4-carboxamide
CID 104671339
N-(3-chloropropyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104670847
3-ethyl-6-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridazine-4-carboxamide
CID 104971654
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107845640
3-ethyl-6-methyl-N-(morpholin-3-ylmethyl)pyridazine-4-carboxamide
CID 103548617
N-(2-aminobutyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671450

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-ethyl-6-methylpyridazine-4-carboxamide (CID 104671254) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-ethyl-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-ethyl-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)NC1C2CNCC21.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The InChIKey is IWIVALRWNRFVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-11-8(4-7(2)16-17-11)13(18)15-12-9-5-14-6-10(9)12/h4,9-10,12,14H,3,5-6H2,1-2H3,(H,15,18).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-ethyl-6-methylpyridazine-4-carboxamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-ethyl-6-methylpyridazine-4-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-ethyl-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 104671254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).