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

C8H13N3O — CID 106548528

IUPAC2-[(2R)-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-/m1/s1
InChIKeyPFGGGVKMNCUBKK-SSDOTTSWSA-N
MW167.21 g/mol
LogP-0.10
Rot. Bonds2

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

2-[(2R)-2-aminopropyl]-5-methylpyridazin-3-one (PubChem CID 106548528) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-[(2R)-2-aminopropyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[(2R)-2-aminopropyl]-5-methylpyridazin-3-one
PubChem CID106548528
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-[(2R)-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-/m1/s1
InChIKeyPFGGGVKMNCUBKK-SSDOTTSWSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-aminopropyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[(2R)-2-aminopropyl]-5-methylpyridazin-3-one (CID 106548528) is 2-[(2R)-2-aminopropyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[(2R)-2-aminopropyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[(2R)-2-aminopropyl]-5-methylpyridazin-3-one is Cc1cnn(C[C@@H](C)N)c(=O)c1.
What is the InChIKey of 2-[(2R)-2-aminopropyl]-5-methylpyridazin-3-one?
The InChIKey is PFGGGVKMNCUBKK-SSDOTTSWSA-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-/m1/s1.
What are the key properties of 2-[(2R)-2-aminopropyl]-5-methylpyridazin-3-one?
2-[(2R)-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-[(2R)-2-aminopropyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).