1-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]cyclopentan-1-ol

C12H18ClN3O — CID 114948795

IUPAC1-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCN(Cc1ccc(Cl)nn1)CC1(O)CCCC1
InChIInChI=1S/C12H18ClN3O/c1-16(9-12(17)6-2-3-7-12)8-10-4-5-11(13)15-14-10/h4-5,17H,2-3,6-9H2,1H3
InChIKeyMNLANDJPQCHQFA-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.87
Rot. Bonds4

About 1-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]cyclopentan-1-ol

1-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114948795) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]cyclopentan-1-ol
PubChem CID114948795
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name1-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCN(Cc1ccc(Cl)nn1)CC1(O)CCCC1
InChIInChI=1S/C12H18ClN3O/c1-16(9-12(17)6-2-3-7-12)8-10-4-5-11(13)15-14-10/h4-5,17H,2-3,6-9H2,1H3
InChIKeyMNLANDJPQCHQFA-UHFFFAOYSA-N
XLogP1.87
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114948809
1-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 115750745
1-[[methyl(quinolin-2-ylmethyl)amino]methyl]cyclopentan-1-ol
CID 115758417
1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 113321844
1-[[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 114948799
1-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 115758448
4-[[(6-chloro-2-pyridinyl)methyl-methylamino]methyl]oxan-4-ol
CID 114948813
1-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]cyclopentan-1-ol
CID 114952613
1-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol
CID 71854314
4-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzoic acid
CID 65212652
1-[[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 114952614
1-[[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]methyl]cyclopentan-1-ol
CID 115758441

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]cyclopentan-1-ol (CID 114948795) is 1-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]cyclopentan-1-ol is CN(Cc1ccc(Cl)nn1)CC1(O)CCCC1.
What is the InChIKey of 1-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is MNLANDJPQCHQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-16(9-12(17)6-2-3-7-12)8-10-4-5-11(13)15-14-10/h4-5,17H,2-3,6-9H2,1H3.
What are the key properties of 1-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]cyclopentan-1-ol?
1-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 255.75 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114948795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).