N,5-ditert-butylpyridazin-3-amine

C12H21N3 — CID 130260822

IUPACN,5-ditert-butylpyridazin-3-amine
SMILESCC(C)(C)Nc1cc(C(C)(C)C)cnn1
InChIInChI=1S/C12H21N3/c1-11(2,3)9-7-10(15-13-8-9)14-12(4,5)6/h7-8H,1-6H3,(H,14,15)
InChIKeyRGLXIYMWYFLZQG-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.98
Rot. Bonds1

About N,5-ditert-butylpyridazin-3-amine

N,5-ditert-butylpyridazin-3-amine (PubChem CID 130260822) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N,5-ditert-butylpyridazin-3-amine.

Molecular Properties

Compound NameN,5-ditert-butylpyridazin-3-amine
PubChem CID130260822
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN,5-ditert-butylpyridazin-3-amine
SMILESCC(C)(C)Nc1cc(C(C)(C)C)cnn1
InChIInChI=1S/C12H21N3/c1-11(2,3)9-7-10(15-13-8-9)14-12(4,5)6/h7-8H,1-6H3,(H,14,15)
InChIKeyRGLXIYMWYFLZQG-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,5-ditert-butylpyridazin-3-amine?
The IUPAC name of N,5-ditert-butylpyridazin-3-amine (CID 130260822) is N,5-ditert-butylpyridazin-3-amine.
What is the SMILES notation for N,5-ditert-butylpyridazin-3-amine?
The canonical SMILES for N,5-ditert-butylpyridazin-3-amine is CC(C)(C)Nc1cc(C(C)(C)C)cnn1.
What is the InChIKey of N,5-ditert-butylpyridazin-3-amine?
The InChIKey is RGLXIYMWYFLZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-11(2,3)9-7-10(15-13-8-9)14-12(4,5)6/h7-8H,1-6H3,(H,14,15).
What are the key properties of N,5-ditert-butylpyridazin-3-amine?
N,5-ditert-butylpyridazin-3-amine has a molecular weight of 207.32 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-ditert-butylpyridazin-3-amine is sourced from PubChem (CID 130260822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).