4-[(2-methylcyclopropyl)methylamino]-1H-pyridazin-6-one

C9H13N3O — CID 114392466

IUPAC4-[(2-methylcyclopropyl)methylamino]-1H-pyridazin-6-one
SMILESCC1CC1CNc1cn[nH]c(=O)c1
InChIInChI=1S/C9H13N3O/c1-6-2-7(6)4-10-8-3-9(13)12-11-5-8/h3,5-7H,2,4H2,1H3,(H2,10,12,13)
InChIKeyMSZFAVLKQVJVSU-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.84
Rot. Bonds3

About 4-[(2-methylcyclopropyl)methylamino]-1H-pyridazin-6-one

4-[(2-methylcyclopropyl)methylamino]-1H-pyridazin-6-one (PubChem CID 114392466) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-[(2-methylcyclopropyl)methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[(2-methylcyclopropyl)methylamino]-1H-pyridazin-6-one
PubChem CID114392466
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name4-[(2-methylcyclopropyl)methylamino]-1H-pyridazin-6-one
SMILESCC1CC1CNc1cn[nH]c(=O)c1
InChIInChI=1S/C9H13N3O/c1-6-2-7(6)4-10-8-3-9(13)12-11-5-8/h3,5-7H,2,4H2,1H3,(H2,10,12,13)
InChIKeyMSZFAVLKQVJVSU-UHFFFAOYSA-N
XLogP0.84
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylcyclopropyl)methylamino]-1H-pyridazin-6-one?
The IUPAC name of 4-[(2-methylcyclopropyl)methylamino]-1H-pyridazin-6-one (CID 114392466) is 4-[(2-methylcyclopropyl)methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[(2-methylcyclopropyl)methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 4-[(2-methylcyclopropyl)methylamino]-1H-pyridazin-6-one is CC1CC1CNc1cn[nH]c(=O)c1.
What is the InChIKey of 4-[(2-methylcyclopropyl)methylamino]-1H-pyridazin-6-one?
The InChIKey is MSZFAVLKQVJVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-2-7(6)4-10-8-3-9(13)12-11-5-8/h3,5-7H,2,4H2,1H3,(H2,10,12,13).
What are the key properties of 4-[(2-methylcyclopropyl)methylamino]-1H-pyridazin-6-one?
4-[(2-methylcyclopropyl)methylamino]-1H-pyridazin-6-one has a molecular weight of 179.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylcyclopropyl)methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 114392466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).