[5-(3,3-dimethylbutyl)pyridazin-3-yl]methanamine

C11H19N3 — CID 142361247

IUPAC[5-(3,3-dimethylbutyl)pyridazin-3-yl]methanamine
SMILESCC(C)(C)CCc1cnnc(CN)c1
InChIInChI=1S/C11H19N3/c1-11(2,3)5-4-9-6-10(7-12)14-13-8-9/h6,8H,4-5,7,12H2,1-3H3
InChIKeyBQYQMQNDXHZKGP-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.91
Rot. Bonds3

About [5-(3,3-dimethylbutyl)pyridazin-3-yl]methanamine

[5-(3,3-dimethylbutyl)pyridazin-3-yl]methanamine (PubChem CID 142361247) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is [5-(3,3-dimethylbutyl)pyridazin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(3,3-dimethylbutyl)pyridazin-3-yl]methanamine
PubChem CID142361247
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name[5-(3,3-dimethylbutyl)pyridazin-3-yl]methanamine
SMILESCC(C)(C)CCc1cnnc(CN)c1
InChIInChI=1S/C11H19N3/c1-11(2,3)5-4-9-6-10(7-12)14-13-8-9/h6,8H,4-5,7,12H2,1-3H3
InChIKeyBQYQMQNDXHZKGP-UHFFFAOYSA-N
XLogP1.91
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(3,3-dimethylbutyl)pyridazin-3-yl]methanamine?
The IUPAC name of [5-(3,3-dimethylbutyl)pyridazin-3-yl]methanamine (CID 142361247) is [5-(3,3-dimethylbutyl)pyridazin-3-yl]methanamine.
What is the SMILES notation for [5-(3,3-dimethylbutyl)pyridazin-3-yl]methanamine?
The canonical SMILES for [5-(3,3-dimethylbutyl)pyridazin-3-yl]methanamine is CC(C)(C)CCc1cnnc(CN)c1.
What is the InChIKey of [5-(3,3-dimethylbutyl)pyridazin-3-yl]methanamine?
The InChIKey is BQYQMQNDXHZKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-11(2,3)5-4-9-6-10(7-12)14-13-8-9/h6,8H,4-5,7,12H2,1-3H3.
What are the key properties of [5-(3,3-dimethylbutyl)pyridazin-3-yl]methanamine?
[5-(3,3-dimethylbutyl)pyridazin-3-yl]methanamine has a molecular weight of 193.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,3-dimethylbutyl)pyridazin-3-yl]methanamine is sourced from PubChem (CID 142361247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).