5-tert-butyl-N,N-diethylpyrazin-2-amine

C12H21N3 — CID 67967134

IUPAC5-tert-butyl-N,N-diethylpyrazin-2-amine
SMILESCCN(CC)c1cnc(C(C)(C)C)cn1
InChIInChI=1S/C12H21N3/c1-6-15(7-2)11-9-13-10(8-14-11)12(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyXQKKBHZDIJCKQN-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.62
Rot. Bonds3

About 5-tert-butyl-N,N-diethylpyrazin-2-amine

5-tert-butyl-N,N-diethylpyrazin-2-amine (PubChem CID 67967134) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-tert-butyl-N,N-diethylpyrazin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N,N-diethylpyrazin-2-amine
PubChem CID67967134
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name5-tert-butyl-N,N-diethylpyrazin-2-amine
SMILESCCN(CC)c1cnc(C(C)(C)C)cn1
InChIInChI=1S/C12H21N3/c1-6-15(7-2)11-9-13-10(8-14-11)12(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyXQKKBHZDIJCKQN-UHFFFAOYSA-N
XLogP2.62
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N,N-diethylpyrazin-2-amine?
The IUPAC name of 5-tert-butyl-N,N-diethylpyrazin-2-amine (CID 67967134) is 5-tert-butyl-N,N-diethylpyrazin-2-amine.
What is the SMILES notation for 5-tert-butyl-N,N-diethylpyrazin-2-amine?
The canonical SMILES for 5-tert-butyl-N,N-diethylpyrazin-2-amine is CCN(CC)c1cnc(C(C)(C)C)cn1.
What is the InChIKey of 5-tert-butyl-N,N-diethylpyrazin-2-amine?
The InChIKey is XQKKBHZDIJCKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-6-15(7-2)11-9-13-10(8-14-11)12(3,4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of 5-tert-butyl-N,N-diethylpyrazin-2-amine?
5-tert-butyl-N,N-diethylpyrazin-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N,N-diethylpyrazin-2-amine is sourced from PubChem (CID 67967134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).