2-(2-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one

C12H21N3O — CID 103219338

IUPAC2-(2-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one
SMILESCCC(C)Cn1ncc(NC(C)C)cc1=O
InChIInChI=1S/C12H21N3O/c1-5-10(4)8-15-12(16)6-11(7-13-15)14-9(2)3/h6-7,9-10,14H,5,8H2,1-4H3
InChIKeyRURNQRSZWQOSQE-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.11
Rot. Bonds5

About 2-(2-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one

2-(2-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one (PubChem CID 103219338) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(2-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one
PubChem CID103219338
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(2-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one
SMILESCCC(C)Cn1ncc(NC(C)C)cc1=O
InChIInChI=1S/C12H21N3O/c1-5-10(4)8-15-12(16)6-11(7-13-15)14-9(2)3/h6-7,9-10,14H,5,8H2,1-4H3
InChIKeyRURNQRSZWQOSQE-UHFFFAOYSA-N
XLogP2.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]butanamide
CID 110876543
2-Methyl-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]propanamide
CID 110876544
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-2-methylpropanamide
CID 110876550
5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3(2H)-one
CID 72876309
5-Amino-2-propan-2-ylpyridazin-3-one
CID 20513821
4-(4-methylpentylamino)-1H-pyridazin-6-one
CID 114392023
N-(1-methyl-6-oxopyridazin-4-yl)propanamide
CID 170387108
3-methyl-N-(1-methyl-6-oxopyridazin-4-yl)butanamide
CID 176873099
5-(Ethylamino)-2-methylpyridazin-3-one
CID 10487061
5-[4-(aminomethyl)-1-piperidinyl]-2-pentyl-3(2H)-pyridazinone trifluoroacetate
CID 28311411
3-[4-[3-(aminomethyl)-1-pyrrolidinyl]-6-oxo-1(6H)-pyridazinyl]-N-isopropylpropanamide
CID 56892430
2-[4-(Propan-2-ylamino)butyl]pyridazin-3-one
CID 62849625

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one?
The IUPAC name of 2-(2-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one (CID 103219338) is 2-(2-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 2-(2-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 2-(2-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one is CCC(C)Cn1ncc(NC(C)C)cc1=O.
What is the InChIKey of 2-(2-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one?
The InChIKey is RURNQRSZWQOSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-10(4)8-15-12(16)6-11(7-13-15)14-9(2)3/h6-7,9-10,14H,5,8H2,1-4H3.
What are the key properties of 2-(2-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one?
2-(2-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one has a molecular weight of 223.32 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 103219338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).