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

C12H18ClN3 — CID 106550702

IUPACN-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridazin-3-amine
SMILESCc1cnnc(NCC2(CCl)CCCC2)c1
InChIInChI=1S/C12H18ClN3/c1-10-6-11(16-15-7-10)14-9-12(8-13)4-2-3-5-12/h6-7H,2-5,8-9H2,1H3,(H,14,16)
InChIKeyGRIRKDMDHSMAQL-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.00
Rot. Bonds4

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

N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridazin-3-amine (PubChem CID 106550702) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridazin-3-amine
PubChem CID106550702
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC NameN-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridazin-3-amine
SMILESCc1cnnc(NCC2(CCl)CCCC2)c1
InChIInChI=1S/C12H18ClN3/c1-10-6-11(16-15-7-10)14-9-12(8-13)4-2-3-5-12/h6-7H,2-5,8-9H2,1H3,(H,14,16)
InChIKeyGRIRKDMDHSMAQL-UHFFFAOYSA-N
XLogP3.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[[(5-methylpyridazin-3-yl)amino]methyl]cyclopentyl]methanol
CID 106549888
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-methylpyridazin-3-amine
CID 106550743
N-[1-(chloromethyl)cyclohexyl]-5-methylpyridazin-3-amine
CID 106550652
5-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyridazin-3-amine
CID 106550265
N-[[1-(chloromethyl)cyclopentyl]methyl]-6-methoxypyrimidin-4-amine
CID 115363649
N-[[1-(chloromethyl)cyclohexyl]methyl]-6-methylpyridin-2-amine
CID 103969220
N-[[1-(chloromethyl)cyclopentyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 115363600
5-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine
CID 115363614
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpyrimidin-4-amine
CID 103969271
N-[[1-(chloromethyl)cyclopentyl]methyl]-6-ethoxypyrimidin-4-amine
CID 113294686
5-methyl-N-[(2-methylcyclopentyl)methyl]pyridazin-3-amine
CID 107419285
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridine-3-carboxamide
CID 113294750

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridazin-3-amine?
The IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridazin-3-amine (CID 106550702) is N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridazin-3-amine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridazin-3-amine?
The canonical SMILES for N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridazin-3-amine is Cc1cnnc(NCC2(CCl)CCCC2)c1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridazin-3-amine?
The InChIKey is GRIRKDMDHSMAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-10-6-11(16-15-7-10)14-9-12(8-13)4-2-3-5-12/h6-7H,2-5,8-9H2,1H3,(H,14,16).
What are the key properties of N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridazin-3-amine?
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridazin-3-amine has a molecular weight of 239.75 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridazin-3-amine is sourced from PubChem (CID 106550702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).