methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]cyanamide

C12H17N5 — CID 116973853

IUPACmethyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]cyanamide
SMILESCN1CCC(c2ccc(N(C)C#N)nn2)CC1
InChIInChI=1S/C12H17N5/c1-16-7-5-10(6-8-16)11-3-4-12(15-14-11)17(2)9-13/h3-4,10H,5-8H2,1-2H3
InChIKeySFVXWQYZVIPCFH-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.20
Rot. Bonds2

About methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]cyanamide

methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]cyanamide (PubChem CID 116973853) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]cyanamide.

Molecular Properties

Compound Namemethyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]cyanamide
PubChem CID116973853
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Namemethyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]cyanamide
SMILESCN1CCC(c2ccc(N(C)C#N)nn2)CC1
InChIInChI=1S/C12H17N5/c1-16-7-5-10(6-8-16)11-3-4-12(15-14-11)17(2)9-13/h3-4,10H,5-8H2,1-2H3
InChIKeySFVXWQYZVIPCFH-UHFFFAOYSA-N
XLogP1.20
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N,N'-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]ethane-1,2-diamine
CID 116973312
2-N-methyl-2-N-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]propane-1,2-diamine
CID 116973376
2-[methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]acetic acid
CID 116973717
6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile
CID 115022328
N-methyl-6-(1-methylpiperidin-4-yl)pyridazin-3-amine
CID 116973161
1-[methyl-[6-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]amino]propan-2-one
CID 116974030
N-ethyl-6-(1-methylpiperidin-4-yl)pyridazin-3-amine
CID 116973215
2-chloro-6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile
CID 115041246
2,3-dichloro-6-(1-methylpiperidin-4-yl)pyridine
CID 138668007
6-(1-methylpiperidin-4-yl)-N-pyrimidin-2-ylpyridazin-3-amine
CID 175798659
2-[(6-cyclobutylpyridazin-3-yl)-methylamino]ethanol
CID 116973655
4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carbonitrile
CID 116966279

Frequently Asked Questions

What is the IUPAC name of methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]cyanamide?
The IUPAC name of methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]cyanamide (CID 116973853) is methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]cyanamide.
What is the SMILES notation for methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]cyanamide?
The canonical SMILES for methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]cyanamide is CN1CCC(c2ccc(N(C)C#N)nn2)CC1.
What is the InChIKey of methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]cyanamide?
The InChIKey is SFVXWQYZVIPCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-16-7-5-10(6-8-16)11-3-4-12(15-14-11)17(2)9-13/h3-4,10H,5-8H2,1-2H3.
What are the key properties of methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]cyanamide?
methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]cyanamide has a molecular weight of 231.30 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]cyanamide is sourced from PubChem (CID 116973853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).