5-[(6-chloro-4,5-dimethylpyridazin-3-yl)-methylamino]pentan-1-ol

C12H20ClN3O — CID 107201841

IUPAC5-[(6-chloro-4,5-dimethylpyridazin-3-yl)-methylamino]pentan-1-ol
SMILESCc1c(Cl)nnc(N(C)CCCCCO)c1C
InChIInChI=1S/C12H20ClN3O/c1-9-10(2)12(15-14-11(9)13)16(3)7-5-4-6-8-17/h17H,4-8H2,1-3H3
InChIKeyVSNCQJKYTXYNQV-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.35
Rot. Bonds6

About 5-[(6-chloro-4,5-dimethylpyridazin-3-yl)-methylamino]pentan-1-ol

5-[(6-chloro-4,5-dimethylpyridazin-3-yl)-methylamino]pentan-1-ol (PubChem CID 107201841) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 5-[(6-chloro-4,5-dimethylpyridazin-3-yl)-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(6-chloro-4,5-dimethylpyridazin-3-yl)-methylamino]pentan-1-ol
PubChem CID107201841
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name5-[(6-chloro-4,5-dimethylpyridazin-3-yl)-methylamino]pentan-1-ol
SMILESCc1c(Cl)nnc(N(C)CCCCCO)c1C
InChIInChI=1S/C12H20ClN3O/c1-9-10(2)12(15-14-11(9)13)16(3)7-5-4-6-8-17/h17H,4-8H2,1-3H3
InChIKeyVSNCQJKYTXYNQV-UHFFFAOYSA-N
XLogP2.35
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(2-ethoxyethyl)-N,4,5-trimethylpyridazin-3-amine
CID 81062603
6-chloro-N,4,5-trimethyl-N-(2-propan-2-yloxyethyl)pyridazin-3-amine
CID 81061968
4-chloro-6-[5-hydroxypentyl(methyl)amino]-2-methylpyrimidine-5-carbaldehyde
CID 107200569
5-[(3-amino-6-chloro-2-pyridinyl)-methylamino]pentan-1-ol
CID 107197978
5-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107207622
5-[methyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 107207443
3-(3,6-dichloro-5-methylpyridazin-4-yl)propan-1-ol
CID 155593827
5-[(3,6-dimethylpyrazin-2-yl)-methylamino]pentan-1-ol
CID 107203507
5-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentan-1-ol
CID 107203400
6-chloro-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxylic acid
CID 107200362
5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107207586
5-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]pentan-1-ol
CID 107200937

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-4,5-dimethylpyridazin-3-yl)-methylamino]pentan-1-ol?
The IUPAC name of 5-[(6-chloro-4,5-dimethylpyridazin-3-yl)-methylamino]pentan-1-ol (CID 107201841) is 5-[(6-chloro-4,5-dimethylpyridazin-3-yl)-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(6-chloro-4,5-dimethylpyridazin-3-yl)-methylamino]pentan-1-ol?
The canonical SMILES for 5-[(6-chloro-4,5-dimethylpyridazin-3-yl)-methylamino]pentan-1-ol is Cc1c(Cl)nnc(N(C)CCCCCO)c1C.
What is the InChIKey of 5-[(6-chloro-4,5-dimethylpyridazin-3-yl)-methylamino]pentan-1-ol?
The InChIKey is VSNCQJKYTXYNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-9-10(2)12(15-14-11(9)13)16(3)7-5-4-6-8-17/h17H,4-8H2,1-3H3.
What are the key properties of 5-[(6-chloro-4,5-dimethylpyridazin-3-yl)-methylamino]pentan-1-ol?
5-[(6-chloro-4,5-dimethylpyridazin-3-yl)-methylamino]pentan-1-ol has a molecular weight of 257.76 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-4,5-dimethylpyridazin-3-yl)-methylamino]pentan-1-ol is sourced from PubChem (CID 107201841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).