4,5,6-tri(propan-2-yl)-2,3-dihydro-1H-pyrazine

C13H26N2 — CID 90075920

IUPAC4,5,6-tri(propan-2-yl)-2,3-dihydro-1H-pyrazine
SMILESCC(C)C1=C(C(C)C)N(C(C)C)CCN1
InChIInChI=1S/C13H26N2/c1-9(2)12-13(10(3)4)15(11(5)6)8-7-14-12/h9-11,14H,7-8H2,1-6H3
InChIKeyRLAKOCSCBBXYRO-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.82
Rot. Bonds3

About 4,5,6-tri(propan-2-yl)-2,3-dihydro-1H-pyrazine

4,5,6-tri(propan-2-yl)-2,3-dihydro-1H-pyrazine (PubChem CID 90075920) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 4,5,6-tri(propan-2-yl)-2,3-dihydro-1H-pyrazine.

Molecular Properties

Compound Name4,5,6-tri(propan-2-yl)-2,3-dihydro-1H-pyrazine
PubChem CID90075920
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name4,5,6-tri(propan-2-yl)-2,3-dihydro-1H-pyrazine
SMILESCC(C)C1=C(C(C)C)N(C(C)C)CCN1
InChIInChI=1S/C13H26N2/c1-9(2)12-13(10(3)4)15(11(5)6)8-7-14-12/h9-11,14H,7-8H2,1-6H3
InChIKeyRLAKOCSCBBXYRO-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-tri(propan-2-yl)-2,3-dihydro-1H-pyrazine?
The IUPAC name of 4,5,6-tri(propan-2-yl)-2,3-dihydro-1H-pyrazine (CID 90075920) is 4,5,6-tri(propan-2-yl)-2,3-dihydro-1H-pyrazine.
What is the SMILES notation for 4,5,6-tri(propan-2-yl)-2,3-dihydro-1H-pyrazine?
The canonical SMILES for 4,5,6-tri(propan-2-yl)-2,3-dihydro-1H-pyrazine is CC(C)C1=C(C(C)C)N(C(C)C)CCN1.
What is the InChIKey of 4,5,6-tri(propan-2-yl)-2,3-dihydro-1H-pyrazine?
The InChIKey is RLAKOCSCBBXYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-9(2)12-13(10(3)4)15(11(5)6)8-7-14-12/h9-11,14H,7-8H2,1-6H3.
What are the key properties of 4,5,6-tri(propan-2-yl)-2,3-dihydro-1H-pyrazine?
4,5,6-tri(propan-2-yl)-2,3-dihydro-1H-pyrazine has a molecular weight of 210.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-tri(propan-2-yl)-2,3-dihydro-1H-pyrazine is sourced from PubChem (CID 90075920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).