[7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone

C17H24N6O2 — CID 118746060

IUPAC[7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone
SMILESCN(C)CCOCC1CN(C(=O)c2ccnnc2)Cc2ccnn2C1
InChIInChI=1S/C17H24N6O2/c1-21(2)7-8-25-13-14-10-22(12-16-4-6-20-23(16)11-14)17(24)15-3-5-18-19-9-15/h3-6,9,14H,7-8,10-13H2,1-2H3
InChIKeyJMYJXKDTMHUZEQ-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.52
Rot. Bonds6

About [7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone

[7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone (PubChem CID 118746060) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is [7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone
PubChem CID118746060
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name[7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone
SMILESCN(C)CCOCC1CN(C(=O)c2ccnnc2)Cc2ccnn2C1
InChIInChI=1S/C17H24N6O2/c1-21(2)7-8-25-13-14-10-22(12-16-4-6-20-23(16)11-14)17(24)15-3-5-18-19-9-15/h3-6,9,14H,7-8,10-13H2,1-2H3
InChIKeyJMYJXKDTMHUZEQ-UHFFFAOYSA-N
XLogP0.52
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone (CID 118746060) is [7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone is CN(C)CCOCC1CN(C(=O)c2ccnnc2)Cc2ccnn2C1.
What is the InChIKey of [7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone?
The InChIKey is JMYJXKDTMHUZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-21(2)7-8-25-13-14-10-22(12-16-4-6-20-23(16)11-14)17(24)15-3-5-18-19-9-15/h3-6,9,14H,7-8,10-13H2,1-2H3.
What are the key properties of [7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone?
[7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone has a molecular weight of 344.42 g/mol, XLogP of 0.52, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 118746060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).