N-[(4-chlorocyclohexyl)methyl]-5-methylpyridazin-3-amine

C12H18ClN3 — CID 106125783

IUPACN-[(4-chlorocyclohexyl)methyl]-5-methylpyridazin-3-amine
SMILESCc1cnnc(NCC2CCC(Cl)CC2)c1
InChIInChI=1S/C12H18ClN3/c1-9-6-12(16-15-7-9)14-8-10-2-4-11(13)5-3-10/h6-7,10-11H,2-5,8H2,1H3,(H,14,16)
InChIKeyJBNDWXVBWAVDLP-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.99
Rot. Bonds3

About N-[(4-chlorocyclohexyl)methyl]-5-methylpyridazin-3-amine

N-[(4-chlorocyclohexyl)methyl]-5-methylpyridazin-3-amine (PubChem CID 106125783) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is N-[(4-chlorocyclohexyl)methyl]-5-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[(4-chlorocyclohexyl)methyl]-5-methylpyridazin-3-amine
PubChem CID106125783
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC NameN-[(4-chlorocyclohexyl)methyl]-5-methylpyridazin-3-amine
SMILESCc1cnnc(NCC2CCC(Cl)CC2)c1
InChIInChI=1S/C12H18ClN3/c1-9-6-12(16-15-7-9)14-8-10-2-4-11(13)5-3-10/h6-7,10-11H,2-5,8H2,1H3,(H,14,16)
InChIKeyJBNDWXVBWAVDLP-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
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

N-(cyclohexylmethyl)-5-methylpyridazin-3-amine
CID 106549505
N-[(3-aminocyclopentyl)methyl]-5-methylpyridazin-3-amine
CID 106127034
N-[(4-chlorocyclohexyl)methyl]-5,6-dimethylpyrazin-2-amine
CID 106126001
N-[(4-chlorocyclohexyl)methyl]-5-methylpyridin-2-amine
CID 106125721
5-methyl-N-[(2-methylcyclopentyl)methyl]pyridazin-3-amine
CID 107419285
[2-[[(5-methylpyridazin-3-yl)amino]methyl]cyclopentyl]methanol
CID 106549836
2-N-(cyclopropylmethyl)-5-methylpyridine-2,3-diamine
CID 66281261
N-(1,4-dioxan-2-ylmethyl)-5-methylpyridazin-3-amine
CID 106549581
N-cyclopropyl-5-methylpyridazin-3-amine
CID 106549432
5-methyl-N-(morpholin-2-ylmethyl)pyridazin-3-amine
CID 106550259
N-(cyclopentylmethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-amine
CID 58227329
5-methyl-N-[2-(3-methylcyclohexyl)ethyl]pyridazin-3-amine
CID 106549781

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorocyclohexyl)methyl]-5-methylpyridazin-3-amine?
The IUPAC name of N-[(4-chlorocyclohexyl)methyl]-5-methylpyridazin-3-amine (CID 106125783) is N-[(4-chlorocyclohexyl)methyl]-5-methylpyridazin-3-amine.
What is the SMILES notation for N-[(4-chlorocyclohexyl)methyl]-5-methylpyridazin-3-amine?
The canonical SMILES for N-[(4-chlorocyclohexyl)methyl]-5-methylpyridazin-3-amine is Cc1cnnc(NCC2CCC(Cl)CC2)c1.
What is the InChIKey of N-[(4-chlorocyclohexyl)methyl]-5-methylpyridazin-3-amine?
The InChIKey is JBNDWXVBWAVDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-9-6-12(16-15-7-9)14-8-10-2-4-11(13)5-3-10/h6-7,10-11H,2-5,8H2,1H3,(H,14,16).
What are the key properties of N-[(4-chlorocyclohexyl)methyl]-5-methylpyridazin-3-amine?
N-[(4-chlorocyclohexyl)methyl]-5-methylpyridazin-3-amine has a molecular weight of 239.75 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorocyclohexyl)methyl]-5-methylpyridazin-3-amine is sourced from PubChem (CID 106125783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).