6-(chloromethyl)-N-cycloheptyl-N-methylpyridazin-3-amine

C13H20ClN3 — CID 61256844

IUPAC6-(chloromethyl)-N-cycloheptyl-N-methylpyridazin-3-amine
SMILESCN(c1ccc(CCl)nn1)C1CCCCCC1
InChIInChI=1S/C13H20ClN3/c1-17(12-6-4-2-3-5-7-12)13-9-8-11(10-14)15-16-13/h8-9,12H,2-7,10H2,1H3
InChIKeyRVOWXMXARTUXBX-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.37
Rot. Bonds3

About 6-(chloromethyl)-N-cycloheptyl-N-methylpyridazin-3-amine

6-(chloromethyl)-N-cycloheptyl-N-methylpyridazin-3-amine (PubChem CID 61256844) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 6-(chloromethyl)-N-cycloheptyl-N-methylpyridazin-3-amine.

Molecular Properties

Compound Name6-(chloromethyl)-N-cycloheptyl-N-methylpyridazin-3-amine
PubChem CID61256844
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name6-(chloromethyl)-N-cycloheptyl-N-methylpyridazin-3-amine
SMILESCN(c1ccc(CCl)nn1)C1CCCCCC1
InChIInChI=1S/C13H20ClN3/c1-17(12-6-4-2-3-5-7-12)13-9-8-11(10-14)15-16-13/h8-9,12H,2-7,10H2,1H3
InChIKeyRVOWXMXARTUXBX-UHFFFAOYSA-N
XLogP3.37
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-N-cycloheptyl-N-methylpyridazin-3-amine?
The IUPAC name of 6-(chloromethyl)-N-cycloheptyl-N-methylpyridazin-3-amine (CID 61256844) is 6-(chloromethyl)-N-cycloheptyl-N-methylpyridazin-3-amine.
What is the SMILES notation for 6-(chloromethyl)-N-cycloheptyl-N-methylpyridazin-3-amine?
The canonical SMILES for 6-(chloromethyl)-N-cycloheptyl-N-methylpyridazin-3-amine is CN(c1ccc(CCl)nn1)C1CCCCCC1.
What is the InChIKey of 6-(chloromethyl)-N-cycloheptyl-N-methylpyridazin-3-amine?
The InChIKey is RVOWXMXARTUXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-17(12-6-4-2-3-5-7-12)13-9-8-11(10-14)15-16-13/h8-9,12H,2-7,10H2,1H3.
What are the key properties of 6-(chloromethyl)-N-cycloheptyl-N-methylpyridazin-3-amine?
6-(chloromethyl)-N-cycloheptyl-N-methylpyridazin-3-amine has a molecular weight of 253.78 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-N-cycloheptyl-N-methylpyridazin-3-amine is sourced from PubChem (CID 61256844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).