N-[(6-chloropyridazin-3-yl)methyl]-1-cyclopropyl-N-methylethanamine

C11H16ClN3 — CID 104513538

IUPACN-[(6-chloropyridazin-3-yl)methyl]-1-cyclopropyl-N-methylethanamine
SMILESCC(C1CC1)N(C)Cc1ccc(Cl)nn1
InChIInChI=1S/C11H16ClN3/c1-8(9-3-4-9)15(2)7-10-5-6-11(12)14-13-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyFNIBCLZTUYADCZ-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.36
Rot. Bonds4

About N-[(6-chloropyridazin-3-yl)methyl]-1-cyclopropyl-N-methylethanamine

N-[(6-chloropyridazin-3-yl)methyl]-1-cyclopropyl-N-methylethanamine (PubChem CID 104513538) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is N-[(6-chloropyridazin-3-yl)methyl]-1-cyclopropyl-N-methylethanamine.

Molecular Properties

Compound NameN-[(6-chloropyridazin-3-yl)methyl]-1-cyclopropyl-N-methylethanamine
PubChem CID104513538
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC NameN-[(6-chloropyridazin-3-yl)methyl]-1-cyclopropyl-N-methylethanamine
SMILESCC(C1CC1)N(C)Cc1ccc(Cl)nn1
InChIInChI=1S/C11H16ClN3/c1-8(9-3-4-9)15(2)7-10-5-6-11(12)14-13-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyFNIBCLZTUYADCZ-UHFFFAOYSA-N
XLogP2.36
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-chloropyridazin-3-yl)methyl]-N,3,3-trimethylbutan-2-amine
CID 104513657
N-[(6-chloropyridazin-3-yl)methyl]-N-propylcyclopropanamine
CID 104513514
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-cyclopropyl-N-methylethanamine
CID 79765083
N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine
CID 104513518
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-1-cyclopropyl-N-methylethanamine
CID 62891307
(2S)-2-amino-N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutanamide
CID 66568908
1-cyclopropyl-N-methyl-N-[(2-methylphenyl)methyl]ethanamine
CID 134022614
6-chloro-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine
CID 63588402
1-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 114948795
(1R)-N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-N-methylethanamine
CID 94819411
6-chloro-N-(1-cyclopropylethyl)pyridazin-3-amine
CID 43401136
2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 104513833

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-1-cyclopropyl-N-methylethanamine?
The IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-1-cyclopropyl-N-methylethanamine (CID 104513538) is N-[(6-chloropyridazin-3-yl)methyl]-1-cyclopropyl-N-methylethanamine.
What is the SMILES notation for N-[(6-chloropyridazin-3-yl)methyl]-1-cyclopropyl-N-methylethanamine?
The canonical SMILES for N-[(6-chloropyridazin-3-yl)methyl]-1-cyclopropyl-N-methylethanamine is CC(C1CC1)N(C)Cc1ccc(Cl)nn1.
What is the InChIKey of N-[(6-chloropyridazin-3-yl)methyl]-1-cyclopropyl-N-methylethanamine?
The InChIKey is FNIBCLZTUYADCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-8(9-3-4-9)15(2)7-10-5-6-11(12)14-13-10/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of N-[(6-chloropyridazin-3-yl)methyl]-1-cyclopropyl-N-methylethanamine?
N-[(6-chloropyridazin-3-yl)methyl]-1-cyclopropyl-N-methylethanamine has a molecular weight of 225.72 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloropyridazin-3-yl)methyl]-1-cyclopropyl-N-methylethanamine is sourced from PubChem (CID 104513538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).