2-(3-aminopropyl)-5-methylpyridazin-3-one

C8H13N3O — CID 106548358

IUPAC2-(3-aminopropyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CCCN)c(=O)c1
InChIInChI=1S/C8H13N3O/c1-7-5-8(12)11(10-6-7)4-2-3-9/h5-6H,2-4,9H2,1H3
InChIKeyCQBFAEHGELEHBW-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.10
Rot. Bonds3

About 2-(3-aminopropyl)-5-methylpyridazin-3-one

2-(3-aminopropyl)-5-methylpyridazin-3-one (PubChem CID 106548358) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(3-aminopropyl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(3-aminopropyl)-5-methylpyridazin-3-one
PubChem CID106548358
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(3-aminopropyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CCCN)c(=O)c1
InChIInChI=1S/C8H13N3O/c1-7-5-8(12)11(10-6-7)4-2-3-9/h5-6H,2-4,9H2,1H3
InChIKeyCQBFAEHGELEHBW-UHFFFAOYSA-N
XLogP-0.10
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyridazin-3-one
CID 106548347
5-Methyl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 106549116
2-(3-Fluoropropyl)-5-methylpyridazin-3-one
CID 126996145
2-(3-Fluorobutyl)-5-methylpyridazin-3-one
CID 131183205
N-(2-methylpropyl)-6-oxo-1H-pyridazine-4-carboxamide
CID 20785128
5-(Aminomethyl)-2-ethylpyridazin-3(2H)-one
CID 21066412
4-(Aminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 23018232
4-(Aminomethyl)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride
CID 23018258
4-(Aminomethyl)-2-methylpyridazin-3-one
CID 55285531
N-ethyl-2-methyl-3-oxopyridazine-4-carboxamide
CID 89020618
2-(2-Methylprop-2-enyl)pyridazin-3-one
CID 89140353
2-Ethyl-5-methyl-2,3-dihydropyridazin-3-one
CID 124252037

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-5-methylpyridazin-3-one?
The IUPAC name of 2-(3-aminopropyl)-5-methylpyridazin-3-one (CID 106548358) is 2-(3-aminopropyl)-5-methylpyridazin-3-one.
What is the SMILES notation for 2-(3-aminopropyl)-5-methylpyridazin-3-one?
The canonical SMILES for 2-(3-aminopropyl)-5-methylpyridazin-3-one is Cc1cnn(CCCN)c(=O)c1.
What is the InChIKey of 2-(3-aminopropyl)-5-methylpyridazin-3-one?
The InChIKey is CQBFAEHGELEHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-7-5-8(12)11(10-6-7)4-2-3-9/h5-6H,2-4,9H2,1H3.
What are the key properties of 2-(3-aminopropyl)-5-methylpyridazin-3-one?
2-(3-aminopropyl)-5-methylpyridazin-3-one has a molecular weight of 167.21 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-5-methylpyridazin-3-one is sourced from PubChem (CID 106548358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).