N-[1-(chloromethyl)cyclohexyl]-5-methylpyridazin-3-amine

C12H18ClN3 — CID 106550652

IUPACN-[1-(chloromethyl)cyclohexyl]-5-methylpyridazin-3-amine
SMILESCc1cnnc(NC2(CCl)CCCCC2)c1
InChIInChI=1S/C12H18ClN3/c1-10-7-11(16-14-8-10)15-12(9-13)5-3-2-4-6-12/h7-8H,2-6,9H2,1H3,(H,15,16)
InChIKeySZZNZJCONJDPQD-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.14
Rot. Bonds3

About N-[1-(chloromethyl)cyclohexyl]-5-methylpyridazin-3-amine

N-[1-(chloromethyl)cyclohexyl]-5-methylpyridazin-3-amine (PubChem CID 106550652) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclohexyl]-5-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclohexyl]-5-methylpyridazin-3-amine
PubChem CID106550652
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC NameN-[1-(chloromethyl)cyclohexyl]-5-methylpyridazin-3-amine
SMILESCc1cnnc(NC2(CCl)CCCCC2)c1
InChIInChI=1S/C12H18ClN3/c1-10-7-11(16-14-8-10)15-12(9-13)5-3-2-4-6-12/h7-8H,2-6,9H2,1H3,(H,15,16)
InChIKeySZZNZJCONJDPQD-UHFFFAOYSA-N
XLogP3.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.14
H-Bond Donors ≤ 51
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 N-[1-(chloromethyl)cyclohexyl]-5-methylpyridazin-3-amine?
The IUPAC name of N-[1-(chloromethyl)cyclohexyl]-5-methylpyridazin-3-amine (CID 106550652) is N-[1-(chloromethyl)cyclohexyl]-5-methylpyridazin-3-amine.
What is the SMILES notation for N-[1-(chloromethyl)cyclohexyl]-5-methylpyridazin-3-amine?
The canonical SMILES for N-[1-(chloromethyl)cyclohexyl]-5-methylpyridazin-3-amine is Cc1cnnc(NC2(CCl)CCCCC2)c1.
What is the InChIKey of N-[1-(chloromethyl)cyclohexyl]-5-methylpyridazin-3-amine?
The InChIKey is SZZNZJCONJDPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-10-7-11(16-14-8-10)15-12(9-13)5-3-2-4-6-12/h7-8H,2-6,9H2,1H3,(H,15,16).
What are the key properties of N-[1-(chloromethyl)cyclohexyl]-5-methylpyridazin-3-amine?
N-[1-(chloromethyl)cyclohexyl]-5-methylpyridazin-3-amine has a molecular weight of 239.75 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclohexyl]-5-methylpyridazin-3-amine is sourced from PubChem (CID 106550652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).