5-[4-(aminomethyl)-2,6-diethylphenyl]-1H-pyridazin-6-one

C15H19N3O — CID 174802216

IUPAC5-[4-(aminomethyl)-2,6-diethylphenyl]-1H-pyridazin-6-one
SMILESCCc1cc(CN)cc(CC)c1-c1ccn[nH]c1=O
InChIInChI=1S/C15H19N3O/c1-3-11-7-10(9-16)8-12(4-2)14(11)13-5-6-17-18-15(13)19/h5-8H,3-4,9,16H2,1-2H3,(H,18,19)
InChIKeyKUHPVPAYTVFULK-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.02
Rot. Bonds4

About 5-[4-(aminomethyl)-2,6-diethylphenyl]-1H-pyridazin-6-one

5-[4-(aminomethyl)-2,6-diethylphenyl]-1H-pyridazin-6-one (PubChem CID 174802216) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-[4-(aminomethyl)-2,6-diethylphenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[4-(aminomethyl)-2,6-diethylphenyl]-1H-pyridazin-6-one
PubChem CID174802216
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-[4-(aminomethyl)-2,6-diethylphenyl]-1H-pyridazin-6-one
SMILESCCc1cc(CN)cc(CC)c1-c1ccn[nH]c1=O
InChIInChI=1S/C15H19N3O/c1-3-11-7-10(9-16)8-12(4-2)14(11)13-5-6-17-18-15(13)19/h5-8H,3-4,9,16H2,1-2H3,(H,18,19)
InChIKeyKUHPVPAYTVFULK-UHFFFAOYSA-N
XLogP2.02
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)-2,6-diethylphenyl]-1H-pyridazin-6-one?
The IUPAC name of 5-[4-(aminomethyl)-2,6-diethylphenyl]-1H-pyridazin-6-one (CID 174802216) is 5-[4-(aminomethyl)-2,6-diethylphenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-[4-(aminomethyl)-2,6-diethylphenyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-[4-(aminomethyl)-2,6-diethylphenyl]-1H-pyridazin-6-one is CCc1cc(CN)cc(CC)c1-c1ccn[nH]c1=O.
What is the InChIKey of 5-[4-(aminomethyl)-2,6-diethylphenyl]-1H-pyridazin-6-one?
The InChIKey is KUHPVPAYTVFULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-11-7-10(9-16)8-12(4-2)14(11)13-5-6-17-18-15(13)19/h5-8H,3-4,9,16H2,1-2H3,(H,18,19).
What are the key properties of 5-[4-(aminomethyl)-2,6-diethylphenyl]-1H-pyridazin-6-one?
5-[4-(aminomethyl)-2,6-diethylphenyl]-1H-pyridazin-6-one has a molecular weight of 257.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)-2,6-diethylphenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 174802216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).