1,6-dimethyl-3-propan-2-yl-2H-pyrazine

C9H16N2 — CID 70454200

IUPAC1,6-dimethyl-3-propan-2-yl-2H-pyrazine
SMILESCC1=CN=C(C(C)C)CN1C
InChIInChI=1S/C9H16N2/c1-7(2)9-6-11(4)8(3)5-10-9/h5,7H,6H2,1-4H3
InChIKeyHAMNLPRPFLRIAA-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.89
Rot. Bonds1

About 1,6-dimethyl-3-propan-2-yl-2H-pyrazine

1,6-dimethyl-3-propan-2-yl-2H-pyrazine (PubChem CID 70454200) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,6-dimethyl-3-propan-2-yl-2H-pyrazine.

Molecular Properties

Compound Name1,6-dimethyl-3-propan-2-yl-2H-pyrazine
PubChem CID70454200
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1,6-dimethyl-3-propan-2-yl-2H-pyrazine
SMILESCC1=CN=C(C(C)C)CN1C
InChIInChI=1S/C9H16N2/c1-7(2)9-6-11(4)8(3)5-10-9/h5,7H,6H2,1-4H3
InChIKeyHAMNLPRPFLRIAA-UHFFFAOYSA-N
XLogP1.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-propan-2-yl-2H-pyrazine?
The IUPAC name of 1,6-dimethyl-3-propan-2-yl-2H-pyrazine (CID 70454200) is 1,6-dimethyl-3-propan-2-yl-2H-pyrazine.
What is the SMILES notation for 1,6-dimethyl-3-propan-2-yl-2H-pyrazine?
The canonical SMILES for 1,6-dimethyl-3-propan-2-yl-2H-pyrazine is CC1=CN=C(C(C)C)CN1C.
What is the InChIKey of 1,6-dimethyl-3-propan-2-yl-2H-pyrazine?
The InChIKey is HAMNLPRPFLRIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)9-6-11(4)8(3)5-10-9/h5,7H,6H2,1-4H3.
What are the key properties of 1,6-dimethyl-3-propan-2-yl-2H-pyrazine?
1,6-dimethyl-3-propan-2-yl-2H-pyrazine has a molecular weight of 152.24 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-propan-2-yl-2H-pyrazine is sourced from PubChem (CID 70454200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).