N-[(3-chlorocyclopentyl)methyl]-6-methylpyridazin-3-amine

C11H16ClN3 — CID 106124022

IUPACN-[(3-chlorocyclopentyl)methyl]-6-methylpyridazin-3-amine
SMILESCc1ccc(NCC2CCC(Cl)C2)nn1
InChIInChI=1S/C11H16ClN3/c1-8-2-5-11(15-14-8)13-7-9-3-4-10(12)6-9/h2,5,9-10H,3-4,6-7H2,1H3,(H,13,15)
InChIKeyKBEZFXACQDBZHB-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.60
Rot. Bonds3

About N-[(3-chlorocyclopentyl)methyl]-6-methylpyridazin-3-amine

N-[(3-chlorocyclopentyl)methyl]-6-methylpyridazin-3-amine (PubChem CID 106124022) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]-6-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]-6-methylpyridazin-3-amine
PubChem CID106124022
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC NameN-[(3-chlorocyclopentyl)methyl]-6-methylpyridazin-3-amine
SMILESCc1ccc(NCC2CCC(Cl)C2)nn1
InChIInChI=1S/C11H16ClN3/c1-8-2-5-11(15-14-8)13-7-9-3-4-10(12)6-9/h2,5,9-10H,3-4,6-7H2,1H3,(H,13,15)
InChIKeyKBEZFXACQDBZHB-UHFFFAOYSA-N
XLogP2.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.60
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

6-methyl-N-[(3-methylcyclopentyl)methyl]pyridazin-3-amine
CID 107414004
3-[[(6-methylpyridazin-3-yl)amino]methyl]cyclobutan-1-ol
CID 66005697
5-tert-butyl-N-[(3-chlorocyclopentyl)methyl]pyridin-2-amine
CID 106123930
6-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 96586619
N-[(4-chlorocyclohexyl)methyl]-5-methylpyridin-2-amine
CID 106125721
3-N-[(3-methylcyclopentyl)methyl]pyridazine-3,6-diamine
CID 107415795
6-methyl-N-(thiolan-2-ylmethyl)pyridazin-3-amine
CID 80586610
N-[(3-chlorocyclopentyl)methyl]pyrimidin-2-amine
CID 106124303
N-[(3-chlorocyclopentyl)methyl]-1,2,4-benzotriazin-3-amine
CID 114146607
N-[(3-chlorocyclopentyl)methyl]-6-methylpyridine-3-carboxamide
CID 106127191
N-[(3-chlorocyclopentyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106124330
5-bromo-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine
CID 106125146

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]-6-methylpyridazin-3-amine?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]-6-methylpyridazin-3-amine (CID 106124022) is N-[(3-chlorocyclopentyl)methyl]-6-methylpyridazin-3-amine.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]-6-methylpyridazin-3-amine?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]-6-methylpyridazin-3-amine is Cc1ccc(NCC2CCC(Cl)C2)nn1.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]-6-methylpyridazin-3-amine?
The InChIKey is KBEZFXACQDBZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-8-2-5-11(15-14-8)13-7-9-3-4-10(12)6-9/h2,5,9-10H,3-4,6-7H2,1H3,(H,13,15).
What are the key properties of N-[(3-chlorocyclopentyl)methyl]-6-methylpyridazin-3-amine?
N-[(3-chlorocyclopentyl)methyl]-6-methylpyridazin-3-amine has a molecular weight of 225.72 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclopentyl)methyl]-6-methylpyridazin-3-amine is sourced from PubChem (CID 106124022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).