N-[(6-chloropyridazin-3-yl)methyl]-N,3,3-trimethylbutan-2-amine

C12H20ClN3 — CID 104513657

IUPACN-[(6-chloropyridazin-3-yl)methyl]-N,3,3-trimethylbutan-2-amine
SMILESCC(N(C)Cc1ccc(Cl)nn1)C(C)(C)C
InChIInChI=1S/C12H20ClN3/c1-9(12(2,3)4)16(5)8-10-6-7-11(13)15-14-10/h6-7,9H,8H2,1-5H3
InChIKeyZLAOKCCOYNFHCK-UHFFFAOYSA-N
MW241.77 g/mol
LogP3.00
Rot. Bonds3

About N-[(6-chloropyridazin-3-yl)methyl]-N,3,3-trimethylbutan-2-amine

N-[(6-chloropyridazin-3-yl)methyl]-N,3,3-trimethylbutan-2-amine (PubChem CID 104513657) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is N-[(6-chloropyridazin-3-yl)methyl]-N,3,3-trimethylbutan-2-amine.

Molecular Properties

Compound NameN-[(6-chloropyridazin-3-yl)methyl]-N,3,3-trimethylbutan-2-amine
PubChem CID104513657
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC NameN-[(6-chloropyridazin-3-yl)methyl]-N,3,3-trimethylbutan-2-amine
SMILESCC(N(C)Cc1ccc(Cl)nn1)C(C)(C)C
InChIInChI=1S/C12H20ClN3/c1-9(12(2,3)4)16(5)8-10-6-7-11(13)15-14-10/h6-7,9H,8H2,1-5H3
InChIKeyZLAOKCCOYNFHCK-UHFFFAOYSA-N
XLogP3.00
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-N,3,3-trimethylbutan-2-amine?
The IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-N,3,3-trimethylbutan-2-amine (CID 104513657) is N-[(6-chloropyridazin-3-yl)methyl]-N,3,3-trimethylbutan-2-amine.
What is the SMILES notation for N-[(6-chloropyridazin-3-yl)methyl]-N,3,3-trimethylbutan-2-amine?
The canonical SMILES for N-[(6-chloropyridazin-3-yl)methyl]-N,3,3-trimethylbutan-2-amine is CC(N(C)Cc1ccc(Cl)nn1)C(C)(C)C.
What is the InChIKey of N-[(6-chloropyridazin-3-yl)methyl]-N,3,3-trimethylbutan-2-amine?
The InChIKey is ZLAOKCCOYNFHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-9(12(2,3)4)16(5)8-10-6-7-11(13)15-14-10/h6-7,9H,8H2,1-5H3.
What are the key properties of N-[(6-chloropyridazin-3-yl)methyl]-N,3,3-trimethylbutan-2-amine?
N-[(6-chloropyridazin-3-yl)methyl]-N,3,3-trimethylbutan-2-amine has a molecular weight of 241.77 g/mol, XLogP of 3.00, 3 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]-N,3,3-trimethylbutan-2-amine is sourced from PubChem (CID 104513657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).