N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-methylpyridazin-3-amine

C11H16ClN3 — CID 106550743

IUPACN-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-methylpyridazin-3-amine
SMILESCc1cnnc(NCC2(CCCl)CC2)c1
InChIInChI=1S/C11H16ClN3/c1-9-6-10(15-14-7-9)13-8-11(2-3-11)4-5-12/h6-7H,2-5,8H2,1H3,(H,13,15)
InChIKeyOWIIGSPFLXEPRG-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.61
Rot. Bonds5

About N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-methylpyridazin-3-amine

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-methylpyridazin-3-amine (PubChem CID 106550743) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-methylpyridazin-3-amine
PubChem CID106550743
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-methylpyridazin-3-amine
SMILESCc1cnnc(NCC2(CCCl)CC2)c1
InChIInChI=1S/C11H16ClN3/c1-9-6-10(15-14-7-9)13-8-11(2-3-11)4-5-12/h6-7H,2-5,8H2,1H3,(H,13,15)
InChIKeyOWIIGSPFLXEPRG-UHFFFAOYSA-N
XLogP2.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.61
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-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridazin-3-amine
CID 106550702
[1-[[(5-methylpyridazin-3-yl)amino]methyl]cyclopentyl]methanol
CID 106549888
5-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyridazin-3-amine
CID 106550265
N-[1-(chloromethyl)cyclohexyl]-5-methylpyridazin-3-amine
CID 106550652
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-fluoropyridin-2-amine
CID 114757767
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(5-methyl-3-pyridinyl)methanamine
CID 102879073
N-(2,2-difluoroethyl)-5-methylpyridazin-3-amine
CID 106549890
N,2-dimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106550243
N-[(4-chlorocyclohexyl)methyl]-5-methylpyridazin-3-amine
CID 106125783
N-(5-chloro-4-methylpentyl)-5-methylpyridazin-3-amine
CID 106154444
5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyrimidin-2-amine
CID 114757745
N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106549356

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-methylpyridazin-3-amine?
The IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-methylpyridazin-3-amine (CID 106550743) is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-methylpyridazin-3-amine.
What is the SMILES notation for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-methylpyridazin-3-amine?
The canonical SMILES for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-methylpyridazin-3-amine is Cc1cnnc(NCC2(CCCl)CC2)c1.
What is the InChIKey of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-methylpyridazin-3-amine?
The InChIKey is OWIIGSPFLXEPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-9-6-10(15-14-7-9)13-8-11(2-3-11)4-5-12/h6-7H,2-5,8H2,1H3,(H,13,15).
What are the key properties of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-methylpyridazin-3-amine?
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-methylpyridazin-3-amine has a molecular weight of 225.72 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-methylpyridazin-3-amine is sourced from PubChem (CID 106550743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).