5-(4-methyl-1,4-diazepan-1-yl)-2-(pyridin-4-ylmethyl)pyridazin-3-one

C16H21N5O — CID 72869637

IUPAC5-(4-methyl-1,4-diazepan-1-yl)-2-(pyridin-4-ylmethyl)pyridazin-3-one
SMILESCN1CCCN(c2cnn(Cc3ccncc3)c(=O)c2)CC1
InChIInChI=1S/C16H21N5O/c1-19-7-2-8-20(10-9-19)15-11-16(22)21(18-12-15)13-14-3-5-17-6-4-14/h3-6,11-12H,2,7-10,13H2,1H3
InChIKeyRNDFYDKHHNDNMD-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.83
Rot. Bonds3

About 5-(4-methyl-1,4-diazepan-1-yl)-2-(pyridin-4-ylmethyl)pyridazin-3-one

5-(4-methyl-1,4-diazepan-1-yl)-2-(pyridin-4-ylmethyl)pyridazin-3-one (PubChem CID 72869637) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-(4-methyl-1,4-diazepan-1-yl)-2-(pyridin-4-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(4-methyl-1,4-diazepan-1-yl)-2-(pyridin-4-ylmethyl)pyridazin-3-one
PubChem CID72869637
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name5-(4-methyl-1,4-diazepan-1-yl)-2-(pyridin-4-ylmethyl)pyridazin-3-one
SMILESCN1CCCN(c2cnn(Cc3ccncc3)c(=O)c2)CC1
InChIInChI=1S/C16H21N5O/c1-19-7-2-8-20(10-9-19)15-11-16(22)21(18-12-15)13-14-3-5-17-6-4-14/h3-6,11-12H,2,7-10,13H2,1H3
InChIKeyRNDFYDKHHNDNMD-UHFFFAOYSA-N
XLogP0.83
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(4-methyl-1,4-diazepan-1-yl)-2-(pyridin-4-ylmethyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-1,4-diazepan-1-yl)-2-(pyridin-4-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-(4-methyl-1,4-diazepan-1-yl)-2-(pyridin-4-ylmethyl)pyridazin-3-one (CID 72869637) is 5-(4-methyl-1,4-diazepan-1-yl)-2-(pyridin-4-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-(4-methyl-1,4-diazepan-1-yl)-2-(pyridin-4-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-(4-methyl-1,4-diazepan-1-yl)-2-(pyridin-4-ylmethyl)pyridazin-3-one is CN1CCCN(c2cnn(Cc3ccncc3)c(=O)c2)CC1.
What is the InChIKey of 5-(4-methyl-1,4-diazepan-1-yl)-2-(pyridin-4-ylmethyl)pyridazin-3-one?
The InChIKey is RNDFYDKHHNDNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-19-7-2-8-20(10-9-19)15-11-16(22)21(18-12-15)13-14-3-5-17-6-4-14/h3-6,11-12H,2,7-10,13H2,1H3.
What are the key properties of 5-(4-methyl-1,4-diazepan-1-yl)-2-(pyridin-4-ylmethyl)pyridazin-3-one?
5-(4-methyl-1,4-diazepan-1-yl)-2-(pyridin-4-ylmethyl)pyridazin-3-one has a molecular weight of 299.38 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-1,4-diazepan-1-yl)-2-(pyridin-4-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 72869637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).