2,5-dimethyl-3,6-dipropylpyrazine

C12H20N2 — CID 596333

IUPAC2,5-dimethyl-3,6-dipropylpyrazine
SMILESCCCc1nc(C)c(CCC)nc1C
InChIInChI=1S/C12H20N2/c1-5-7-11-9(3)14-12(8-6-2)10(4)13-11/h5-8H2,1-4H3
InChIKeyUNTGFIAQBXNWEA-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.00
Rot. Bonds4

About 2,5-dimethyl-3,6-dipropylpyrazine

2,5-dimethyl-3,6-dipropylpyrazine (PubChem CID 596333) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2,5-dimethyl-3,6-dipropylpyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3,6-dipropylpyrazine
PubChem CID596333
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2,5-dimethyl-3,6-dipropylpyrazine
SMILESCCCc1nc(C)c(CCC)nc1C
InChIInChI=1S/C12H20N2/c1-5-7-11-9(3)14-12(8-6-2)10(4)13-11/h5-8H2,1-4H3
InChIKeyUNTGFIAQBXNWEA-UHFFFAOYSA-N
XLogP3.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-Dihydro-2,3-dimethyl-5H-cyclopentapyrazine
CID 6428802
1,2,3,4,6,7,8,9-Octahydrophenazine
CID 77623
2,3,5-Trimethyl-6-propylpyrazine
CID 586005
2,5-Diethyl-3,6-dimethylpyrazine
CID 12669071
2,6-Diethyl-3,5-dimethylpyrazine
CID 22152543
2,3-Diethyl-5,6-dimethylpyrazine
CID 182198
2-Ethyl-3,5,6-trimethylpyrazine
CID 28518
2-Isobutyl-3,5,6-trimethylpyrazine
CID 521191
2-Butyl-3,5,6-trimethylpyrazine
CID 585784
Trimethyl-2-propenylpyrazine
CID 595263
Tetraethylpyrazine
CID 193761
2,3,5-Trimethyl-6-isopentylpyrazine
CID 517762

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3,6-dipropylpyrazine?
The IUPAC name of 2,5-dimethyl-3,6-dipropylpyrazine (CID 596333) is 2,5-dimethyl-3,6-dipropylpyrazine.
What is the SMILES notation for 2,5-dimethyl-3,6-dipropylpyrazine?
The canonical SMILES for 2,5-dimethyl-3,6-dipropylpyrazine is CCCc1nc(C)c(CCC)nc1C.
What is the InChIKey of 2,5-dimethyl-3,6-dipropylpyrazine?
The InChIKey is UNTGFIAQBXNWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-7-11-9(3)14-12(8-6-2)10(4)13-11/h5-8H2,1-4H3.
What are the key properties of 2,5-dimethyl-3,6-dipropylpyrazine?
2,5-dimethyl-3,6-dipropylpyrazine has a molecular weight of 192.31 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3,6-dipropylpyrazine is sourced from PubChem (CID 596333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).