6-(4-tert-butylphenyl)-N-ethylpyridazin-3-amine

C16H21N3 — CID 62202156

IUPAC6-(4-tert-butylphenyl)-N-ethylpyridazin-3-amine
SMILESCCNc1ccc(-c2ccc(C(C)(C)C)cc2)nn1
InChIInChI=1S/C16H21N3/c1-5-17-15-11-10-14(18-19-15)12-6-8-13(9-7-12)16(2,3)4/h6-11H,5H2,1-4H3,(H,17,19)
InChIKeyYUESQXNUXWSZHM-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.87
Rot. Bonds3

About 6-(4-tert-butylphenyl)-N-ethylpyridazin-3-amine

6-(4-tert-butylphenyl)-N-ethylpyridazin-3-amine (PubChem CID 62202156) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-N-ethylpyridazin-3-amine.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-N-ethylpyridazin-3-amine
PubChem CID62202156
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name6-(4-tert-butylphenyl)-N-ethylpyridazin-3-amine
SMILESCCNc1ccc(-c2ccc(C(C)(C)C)cc2)nn1
InChIInChI=1S/C16H21N3/c1-5-17-15-11-10-14(18-19-15)12-6-8-13(9-7-12)16(2,3)4/h6-11H,5H2,1-4H3,(H,17,19)
InChIKeyYUESQXNUXWSZHM-UHFFFAOYSA-N
XLogP3.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-N-ethylpyridazin-3-amine?
The IUPAC name of 6-(4-tert-butylphenyl)-N-ethylpyridazin-3-amine (CID 62202156) is 6-(4-tert-butylphenyl)-N-ethylpyridazin-3-amine.
What is the SMILES notation for 6-(4-tert-butylphenyl)-N-ethylpyridazin-3-amine?
The canonical SMILES for 6-(4-tert-butylphenyl)-N-ethylpyridazin-3-amine is CCNc1ccc(-c2ccc(C(C)(C)C)cc2)nn1.
What is the InChIKey of 6-(4-tert-butylphenyl)-N-ethylpyridazin-3-amine?
The InChIKey is YUESQXNUXWSZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-5-17-15-11-10-14(18-19-15)12-6-8-13(9-7-12)16(2,3)4/h6-11H,5H2,1-4H3,(H,17,19).
What are the key properties of 6-(4-tert-butylphenyl)-N-ethylpyridazin-3-amine?
6-(4-tert-butylphenyl)-N-ethylpyridazin-3-amine has a molecular weight of 255.36 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)-N-ethylpyridazin-3-amine is sourced from PubChem (CID 62202156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).