3-(4-methyl-3-oxopiperazin-1-yl)pyridazine-4-carbonitrile

C10H11N5O — CID 80509734

IUPAC3-(4-methyl-3-oxopiperazin-1-yl)pyridazine-4-carbonitrile
SMILESCN1CCN(c2nnccc2C#N)CC1=O
InChIInChI=1S/C10H11N5O/c1-14-4-5-15(7-9(14)16)10-8(6-11)2-3-12-13-10/h2-3H,4-5,7H2,1H3
InChIKeyVAPZHRCCDPBJMB-UHFFFAOYSA-N
MW217.23 g/mol
LogP-0.37
Rot. Bonds1

About 3-(4-methyl-3-oxopiperazin-1-yl)pyridazine-4-carbonitrile

3-(4-methyl-3-oxopiperazin-1-yl)pyridazine-4-carbonitrile (PubChem CID 80509734) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-(4-methyl-3-oxopiperazin-1-yl)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(4-methyl-3-oxopiperazin-1-yl)pyridazine-4-carbonitrile
PubChem CID80509734
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name3-(4-methyl-3-oxopiperazin-1-yl)pyridazine-4-carbonitrile
SMILESCN1CCN(c2nnccc2C#N)CC1=O
InChIInChI=1S/C10H11N5O/c1-14-4-5-15(7-9(14)16)10-8(6-11)2-3-12-13-10/h2-3H,4-5,7H2,1H3
InChIKeyVAPZHRCCDPBJMB-UHFFFAOYSA-N
XLogP-0.37
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-3-oxopiperazin-1-yl)pyridazine-4-carbonitrile?
The IUPAC name of 3-(4-methyl-3-oxopiperazin-1-yl)pyridazine-4-carbonitrile (CID 80509734) is 3-(4-methyl-3-oxopiperazin-1-yl)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(4-methyl-3-oxopiperazin-1-yl)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(4-methyl-3-oxopiperazin-1-yl)pyridazine-4-carbonitrile is CN1CCN(c2nnccc2C#N)CC1=O.
What is the InChIKey of 3-(4-methyl-3-oxopiperazin-1-yl)pyridazine-4-carbonitrile?
The InChIKey is VAPZHRCCDPBJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-14-4-5-15(7-9(14)16)10-8(6-11)2-3-12-13-10/h2-3H,4-5,7H2,1H3.
What are the key properties of 3-(4-methyl-3-oxopiperazin-1-yl)pyridazine-4-carbonitrile?
3-(4-methyl-3-oxopiperazin-1-yl)pyridazine-4-carbonitrile has a molecular weight of 217.23 g/mol, XLogP of -0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-3-oxopiperazin-1-yl)pyridazine-4-carbonitrile is sourced from PubChem (CID 80509734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).