1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-3-ol

C12H20N4O — CID 61095817

IUPAC1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-3-ol
SMILESCc1nnc(N2CCCC(O)C2)c(CN)c1C
InChIInChI=1S/C12H20N4O/c1-8-9(2)14-15-12(11(8)6-13)16-5-3-4-10(17)7-16/h10,17H,3-7,13H2,1-2H3
InChIKeyYHABZVFCPDXVHQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.51
Rot. Bonds2

About 1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-3-ol

1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-3-ol (PubChem CID 61095817) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-3-ol
PubChem CID61095817
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-3-ol
SMILESCc1nnc(N2CCCC(O)C2)c(CN)c1C
InChIInChI=1S/C12H20N4O/c1-8-9(2)14-15-12(11(8)6-13)16-5-3-4-10(17)7-16/h10,17H,3-7,13H2,1-2H3
InChIKeyYHABZVFCPDXVHQ-UHFFFAOYSA-N
XLogP0.51
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-3-ol 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 1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-3-ol?
The IUPAC name of 1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-3-ol (CID 61095817) is 1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-3-ol.
What is the SMILES notation for 1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-3-ol?
The canonical SMILES for 1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-3-ol is Cc1nnc(N2CCCC(O)C2)c(CN)c1C.
What is the InChIKey of 1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-3-ol?
The InChIKey is YHABZVFCPDXVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-9(2)14-15-12(11(8)6-13)16-5-3-4-10(17)7-16/h10,17H,3-7,13H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-3-ol?
1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-3-ol has a molecular weight of 236.32 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-3-ol is sourced from PubChem (CID 61095817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).