4-(3-methylbutylamino)-1H-pyridazin-6-one

C9H15N3O — CID 114391891

IUPAC4-(3-methylbutylamino)-1H-pyridazin-6-one
SMILESCC(C)CCNc1cn[nH]c(=O)c1
InChIInChI=1S/C9H15N3O/c1-7(2)3-4-10-8-5-9(13)12-11-6-8/h5-7H,3-4H2,1-2H3,(H2,10,12,13)
InChIKeyWRBKQWDKSQQXDG-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.23
Rot. Bonds4

About 4-(3-methylbutylamino)-1H-pyridazin-6-one

4-(3-methylbutylamino)-1H-pyridazin-6-one (PubChem CID 114391891) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(3-methylbutylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(3-methylbutylamino)-1H-pyridazin-6-one
PubChem CID114391891
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-(3-methylbutylamino)-1H-pyridazin-6-one
SMILESCC(C)CCNc1cn[nH]c(=O)c1
InChIInChI=1S/C9H15N3O/c1-7(2)3-4-10-8-5-9(13)12-11-6-8/h5-7H,3-4H2,1-2H3,(H2,10,12,13)
InChIKeyWRBKQWDKSQQXDG-UHFFFAOYSA-N
XLogP1.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutylamino)-1H-pyridazin-6-one?
The IUPAC name of 4-(3-methylbutylamino)-1H-pyridazin-6-one (CID 114391891) is 4-(3-methylbutylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(3-methylbutylamino)-1H-pyridazin-6-one?
The canonical SMILES for 4-(3-methylbutylamino)-1H-pyridazin-6-one is CC(C)CCNc1cn[nH]c(=O)c1.
What is the InChIKey of 4-(3-methylbutylamino)-1H-pyridazin-6-one?
The InChIKey is WRBKQWDKSQQXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(2)3-4-10-8-5-9(13)12-11-6-8/h5-7H,3-4H2,1-2H3,(H2,10,12,13).
What are the key properties of 4-(3-methylbutylamino)-1H-pyridazin-6-one?
4-(3-methylbutylamino)-1H-pyridazin-6-one has a molecular weight of 181.24 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 114391891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).