2-methyl-5-(4-methylpiperazin-1-yl)-4-(nitrosomethyl)pyridazin-3-one

C11H17N5O2 — CID 123636910

IUPAC2-methyl-5-(4-methylpiperazin-1-yl)-4-(nitrosomethyl)pyridazin-3-one
SMILESCN1CCN(c2cnn(C)c(=O)c2CN=O)CC1
InChIInChI=1S/C11H17N5O2/c1-14-3-5-16(6-4-14)10-8-12-15(2)11(17)9(10)7-13-18/h8H,3-7H2,1-2H3
InChIKeyPWBDLMFVHZQGNJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.20
Rot. Bonds3

About 2-methyl-5-(4-methylpiperazin-1-yl)-4-(nitrosomethyl)pyridazin-3-one

2-methyl-5-(4-methylpiperazin-1-yl)-4-(nitrosomethyl)pyridazin-3-one (PubChem CID 123636910) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-methyl-5-(4-methylpiperazin-1-yl)-4-(nitrosomethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-(4-methylpiperazin-1-yl)-4-(nitrosomethyl)pyridazin-3-one
PubChem CID123636910
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name2-methyl-5-(4-methylpiperazin-1-yl)-4-(nitrosomethyl)pyridazin-3-one
SMILESCN1CCN(c2cnn(C)c(=O)c2CN=O)CC1
InChIInChI=1S/C11H17N5O2/c1-14-3-5-16(6-4-14)10-8-12-15(2)11(17)9(10)7-13-18/h8H,3-7H2,1-2H3
InChIKeyPWBDLMFVHZQGNJ-UHFFFAOYSA-N
XLogP-0.20
TPSA70.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylpiperazin-1-yl)-4-(nitrosomethyl)pyridazin-3-one?
The IUPAC name of 2-methyl-5-(4-methylpiperazin-1-yl)-4-(nitrosomethyl)pyridazin-3-one (CID 123636910) is 2-methyl-5-(4-methylpiperazin-1-yl)-4-(nitrosomethyl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-(4-methylpiperazin-1-yl)-4-(nitrosomethyl)pyridazin-3-one?
The canonical SMILES for 2-methyl-5-(4-methylpiperazin-1-yl)-4-(nitrosomethyl)pyridazin-3-one is CN1CCN(c2cnn(C)c(=O)c2CN=O)CC1.
What is the InChIKey of 2-methyl-5-(4-methylpiperazin-1-yl)-4-(nitrosomethyl)pyridazin-3-one?
The InChIKey is PWBDLMFVHZQGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-14-3-5-16(6-4-14)10-8-12-15(2)11(17)9(10)7-13-18/h8H,3-7H2,1-2H3.
What are the key properties of 2-methyl-5-(4-methylpiperazin-1-yl)-4-(nitrosomethyl)pyridazin-3-one?
2-methyl-5-(4-methylpiperazin-1-yl)-4-(nitrosomethyl)pyridazin-3-one has a molecular weight of 251.29 g/mol, XLogP of -0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylpiperazin-1-yl)-4-(nitrosomethyl)pyridazin-3-one is sourced from PubChem (CID 123636910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).