2-[(2S)-2-aminopropyl]-5-methylpyridazin-3-one

C8H13N3O — CID 106548512

IUPAC2-[(2S)-2-aminopropyl]-5-methylpyridazin-3-one
SMILESCc1cnn(C[C@H](C)N)c(=O)c1
InChIInChI=1S/C8H13N3O/c1-6-3-8(12)11(10-4-6)5-7(2)9/h3-4,7H,5,9H2,1-2H3/t7-/m0/s1
InChIKeyPFGGGVKMNCUBKK-ZETCQYMHSA-N
MW167.21 g/mol
LogP-0.10
Rot. Bonds2

About 2-[(2S)-2-aminopropyl]-5-methylpyridazin-3-one

2-[(2S)-2-aminopropyl]-5-methylpyridazin-3-one (PubChem CID 106548512) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-[(2S)-2-aminopropyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[(2S)-2-aminopropyl]-5-methylpyridazin-3-one
PubChem CID106548512
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-[(2S)-2-aminopropyl]-5-methylpyridazin-3-one
SMILESCc1cnn(C[C@H](C)N)c(=O)c1
InChIInChI=1S/C8H13N3O/c1-6-3-8(12)11(10-4-6)5-7(2)9/h3-4,7H,5,9H2,1-2H3/t7-/m0/s1
InChIKeyPFGGGVKMNCUBKK-ZETCQYMHSA-N
XLogP-0.10
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-methylpyridazin-3-one
CID 106548281
5-Methyl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 106549116
2-(2-Aminoethyl)-5-(trifluoromethyl)-2,3-dihydropyridazin-3-one
CID 164645064
5-(Aminomethyl)-2-ethylpyridazin-3(2H)-one
CID 21066412
5-Methyl-2-(propan-2-yl)-2,3-dihydropyridazin-3-one
CID 125451803
2-Cyclopropyl-5-methylpyridazin-3(2H)-one
CID 125452004
4-Methanimidoyl-5-(methylamino)-2-prop-2-enylpyridazin-3-one
CID 156187890
Ethane;5-methyl-2-propan-2-ylpyridazin-3-one
CID 169135485
5-Methyl-2-(1-methylazetidin-3-yl)pyridazin-3-one
CID 170122353
6-oxo-N-propan-2-yl-1H-pyridazine-4-carboxamide
CID 170237311
2-[2-(Propylamino)ethyl]pyridazin-3-one
CID 62848550
2-[2-(Butan-2-ylamino)ethyl]pyridazin-3-one
CID 62848750

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-aminopropyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[(2S)-2-aminopropyl]-5-methylpyridazin-3-one (CID 106548512) is 2-[(2S)-2-aminopropyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[(2S)-2-aminopropyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[(2S)-2-aminopropyl]-5-methylpyridazin-3-one is Cc1cnn(C[C@H](C)N)c(=O)c1.
What is the InChIKey of 2-[(2S)-2-aminopropyl]-5-methylpyridazin-3-one?
The InChIKey is PFGGGVKMNCUBKK-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-3-8(12)11(10-4-6)5-7(2)9/h3-4,7H,5,9H2,1-2H3/t7-/m0/s1.
What are the key properties of 2-[(2S)-2-aminopropyl]-5-methylpyridazin-3-one?
2-[(2S)-2-aminopropyl]-5-methylpyridazin-3-one has a molecular weight of 167.21 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-aminopropyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).