6-tert-butyl-N,5-dimethylpyridazin-3-amine

C10H17N3 — CID 131008309

IUPAC6-tert-butyl-N,5-dimethylpyridazin-3-amine
SMILESCNc1cc(C)c(C(C)(C)C)nn1
InChIInChI=1S/C10H17N3/c1-7-6-8(11-5)12-13-9(7)10(2,3)4/h6H,1-5H3,(H,11,12)
InChIKeyZUBMWPVGWBYBBJ-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.12
Rot. Bonds1

About 6-tert-butyl-N,5-dimethylpyridazin-3-amine

6-tert-butyl-N,5-dimethylpyridazin-3-amine (PubChem CID 131008309) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 6-tert-butyl-N,5-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-tert-butyl-N,5-dimethylpyridazin-3-amine
PubChem CID131008309
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name6-tert-butyl-N,5-dimethylpyridazin-3-amine
SMILESCNc1cc(C)c(C(C)(C)C)nn1
InChIInChI=1S/C10H17N3/c1-7-6-8(11-5)12-13-9(7)10(2,3)4/h6H,1-5H3,(H,11,12)
InChIKeyZUBMWPVGWBYBBJ-UHFFFAOYSA-N
XLogP2.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N,5-dimethylpyridazin-3-amine?
The IUPAC name of 6-tert-butyl-N,5-dimethylpyridazin-3-amine (CID 131008309) is 6-tert-butyl-N,5-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-tert-butyl-N,5-dimethylpyridazin-3-amine?
The canonical SMILES for 6-tert-butyl-N,5-dimethylpyridazin-3-amine is CNc1cc(C)c(C(C)(C)C)nn1.
What is the InChIKey of 6-tert-butyl-N,5-dimethylpyridazin-3-amine?
The InChIKey is ZUBMWPVGWBYBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7-6-8(11-5)12-13-9(7)10(2,3)4/h6H,1-5H3,(H,11,12).
What are the key properties of 6-tert-butyl-N,5-dimethylpyridazin-3-amine?
6-tert-butyl-N,5-dimethylpyridazin-3-amine has a molecular weight of 179.27 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N,5-dimethylpyridazin-3-amine is sourced from PubChem (CID 131008309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).