5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one;hydrochloride

C9H16ClN3O — CID 71756236

IUPAC5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one;hydrochloride
SMILESCCc1n[nH]c(=O)c(CN)c1CC.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-3-6-7(5-10)9(13)12-11-8(6)4-2;/h3-5,10H2,1-2H3,(H,12,13);1H
InChIKeyRTPRSZMJBBENOK-UHFFFAOYSA-N
MW217.70 g/mol
LogP0.78
Rot. Bonds3

About 5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one;hydrochloride

5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one;hydrochloride (PubChem CID 71756236) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is 5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one;hydrochloride
PubChem CID71756236
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC Name5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one;hydrochloride
SMILESCCc1n[nH]c(=O)c(CN)c1CC.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-3-6-7(5-10)9(13)12-11-8(6)4-2;/h3-5,10H2,1-2H3,(H,12,13);1H
InChIKeyRTPRSZMJBBENOK-UHFFFAOYSA-N
XLogP0.78
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one;hydrochloride?
The IUPAC name of 5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one;hydrochloride (CID 71756236) is 5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one;hydrochloride?
The canonical SMILES for 5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one;hydrochloride is CCc1n[nH]c(=O)c(CN)c1CC.Cl.
What is the InChIKey of 5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one;hydrochloride?
The InChIKey is RTPRSZMJBBENOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.ClH/c1-3-6-7(5-10)9(13)12-11-8(6)4-2;/h3-5,10H2,1-2H3,(H,12,13);1H.
What are the key properties of 5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one;hydrochloride?
5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one;hydrochloride is sourced from PubChem (CID 71756236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).