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

C13H22N4O — CID 61096015

IUPAC[1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-4-yl]methanol
SMILESCc1nnc(N2CCC(CO)CC2)c(CN)c1C
InChIInChI=1S/C13H22N4O/c1-9-10(2)15-16-13(12(9)7-14)17-5-3-11(8-18)4-6-17/h11,18H,3-8,14H2,1-2H3
InChIKeyWTTSRVGIIVLDHX-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.76
Rot. Bonds3

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

[1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-4-yl]methanol (PubChem CID 61096015) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-4-yl]methanol
PubChem CID61096015
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-4-yl]methanol
SMILESCc1nnc(N2CCC(CO)CC2)c(CN)c1C
InChIInChI=1S/C13H22N4O/c1-9-10(2)15-16-13(12(9)7-14)17-5-3-11(8-18)4-6-17/h11,18H,3-8,14H2,1-2H3
InChIKeyWTTSRVGIIVLDHX-UHFFFAOYSA-N
XLogP0.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-4-yl]methanol 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-4-yl]methanol?
The IUPAC name of [1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-4-yl]methanol (CID 61096015) is [1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-4-yl]methanol is Cc1nnc(N2CCC(CO)CC2)c(CN)c1C.
What is the InChIKey of [1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-4-yl]methanol?
The InChIKey is WTTSRVGIIVLDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-10(2)15-16-13(12(9)7-14)17-5-3-11(8-18)4-6-17/h11,18H,3-8,14H2,1-2H3.
What are the key properties of [1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-4-yl]methanol?
[1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperidin-4-yl]methanol has a molecular weight of 250.35 g/mol, XLogP of 0.76, 3 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-4-yl]methanol is sourced from PubChem (CID 61096015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).