5,6-ditert-butyl-1,2,3,4-tetrahydropyrazine

C12H24N2 — CID 167259966

IUPAC5,6-ditert-butyl-1,2,3,4-tetrahydropyrazine
SMILESCC(C)(C)C1=C(C(C)(C)C)NCCN1
InChIInChI=1S/C12H24N2/c1-11(2,3)9-10(12(4,5)6)14-8-7-13-9/h13-14H,7-8H2,1-6H3
InChIKeyGMROUPYZSCJZIC-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.48
Rot. Bonds

About 5,6-ditert-butyl-1,2,3,4-tetrahydropyrazine

5,6-ditert-butyl-1,2,3,4-tetrahydropyrazine (PubChem CID 167259966) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 5,6-ditert-butyl-1,2,3,4-tetrahydropyrazine.

Molecular Properties

Compound Name5,6-ditert-butyl-1,2,3,4-tetrahydropyrazine
PubChem CID167259966
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name5,6-ditert-butyl-1,2,3,4-tetrahydropyrazine
SMILESCC(C)(C)C1=C(C(C)(C)C)NCCN1
InChIInChI=1S/C12H24N2/c1-11(2,3)9-10(12(4,5)6)14-8-7-13-9/h13-14H,7-8H2,1-6H3
InChIKeyGMROUPYZSCJZIC-UHFFFAOYSA-N
XLogP2.48
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 139576354
5,6-Di(propan-2-yl)-1,2,3,4-tetrahydropyrazine
CID 57632399
N,4-dimethyl-1,2,3,6-tetrahydropyridin-5-amine
CID 58269999
5-Tert-butyl-1,2,3,4-tetrahydropyrazine
CID 59443543
azane;(E)-4-piperazin-1-ylhex-3-en-3-amine
CID 67594519
(E)-4-piperazin-1-ylhex-3-en-3-amine
CID 67594520
4-Methyl-1,2,3,6-tetrahydropyridin-5-amine
CID 67861468
4-Piperazin-1-ylhex-3-en-3-amine
CID 69293290
5,5,8,8-Tetramethyl-1,2,3,4-tetrahydroquinoxaline
CID 70186702
5-Methyl-6-propan-2-yl-1,2,3,4-tetrahydropyrazine
CID 89041221
4,5,6-tri(propan-2-yl)-2,3-dihydro-1H-pyrazine
CID 90075920
4-(Methylaminomethyl)-1,2,3,6-tetrahydropyridin-5-amine
CID 117805525

Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-1,2,3,4-tetrahydropyrazine?
The IUPAC name of 5,6-ditert-butyl-1,2,3,4-tetrahydropyrazine (CID 167259966) is 5,6-ditert-butyl-1,2,3,4-tetrahydropyrazine.
What is the SMILES notation for 5,6-ditert-butyl-1,2,3,4-tetrahydropyrazine?
The canonical SMILES for 5,6-ditert-butyl-1,2,3,4-tetrahydropyrazine is CC(C)(C)C1=C(C(C)(C)C)NCCN1.
What is the InChIKey of 5,6-ditert-butyl-1,2,3,4-tetrahydropyrazine?
The InChIKey is GMROUPYZSCJZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-11(2,3)9-10(12(4,5)6)14-8-7-13-9/h13-14H,7-8H2,1-6H3.
What are the key properties of 5,6-ditert-butyl-1,2,3,4-tetrahydropyrazine?
5,6-ditert-butyl-1,2,3,4-tetrahydropyrazine has a molecular weight of 196.34 g/mol, XLogP of 2.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-1,2,3,4-tetrahydropyrazine is sourced from PubChem (CID 167259966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).