3-[(3,6-dipropylpyrazin-2-yl)methyl]-2,5-dipropylpyrazine

C21H32N4 — CID 59188431

IUPAC3-[(3,6-dipropylpyrazin-2-yl)methyl]-2,5-dipropylpyrazine
SMILESCCCc1cnc(CCC)c(Cc2nc(CCC)cnc2CCC)n1
InChIInChI=1S/C21H32N4/c1-5-9-16-14-22-18(11-7-3)20(24-16)13-21-19(12-8-4)23-15-17(25-21)10-6-2/h14-15H,5-13H2,1-4H3
InChIKeyGPJKGMSSGHQHAQ-UHFFFAOYSA-N
MW340.51 g/mol
LogP4.67
Rot. Bonds10

About 3-[(3,6-dipropylpyrazin-2-yl)methyl]-2,5-dipropylpyrazine

3-[(3,6-dipropylpyrazin-2-yl)methyl]-2,5-dipropylpyrazine (PubChem CID 59188431) has the molecular formula C21H32N4 and a molecular weight of 340.51 g/mol. Its IUPAC name is 3-[(3,6-dipropylpyrazin-2-yl)methyl]-2,5-dipropylpyrazine.

Molecular Properties

Compound Name3-[(3,6-dipropylpyrazin-2-yl)methyl]-2,5-dipropylpyrazine
PubChem CID59188431
Molecular FormulaC21H32N4
Molecular Weight340.51 g/mol
Exact Mass340.26
IUPAC Name3-[(3,6-dipropylpyrazin-2-yl)methyl]-2,5-dipropylpyrazine
SMILESCCCc1cnc(CCC)c(Cc2nc(CCC)cnc2CCC)n1
InChIInChI=1S/C21H32N4/c1-5-9-16-14-22-18(11-7-3)20(24-16)13-21-19(12-8-4)23-15-17(25-21)10-6-2/h14-15H,5-13H2,1-4H3
InChIKeyGPJKGMSSGHQHAQ-UHFFFAOYSA-N
XLogP4.67
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Butyl-3-methylpyrazine
CID 85228
3,5-Dimethyl-2-propylpyrazine
CID 122594
2,5-Dimethyl-3-propylpyrazine
CID 87637
Pyrazine, 2-butyl-3,5-dimethyl-
CID 528127
2-Butyl-3,6-dimethylpyrazine
CID 521013
2,5-Dimethyl-3-pentylpyrazine
CID 521746
2-Methyl-3-pentylpyrazine
CID 6428777
3,5-Dimethyl-2-pentylpyrazine
CID 17861463
Pyrazine, 2-butyl-3,?-dimethyl-
CID 118855882
2-Hexyl-3,5-dimethylpyrazine
CID 12168360
1,2-Bis(3-methyl-2-pyrazyl)ethane
CID 12629699
2-Methyl-3-octylpyrazine
CID 528124

Frequently Asked Questions

What is the IUPAC name of 3-[(3,6-dipropylpyrazin-2-yl)methyl]-2,5-dipropylpyrazine?
The IUPAC name of 3-[(3,6-dipropylpyrazin-2-yl)methyl]-2,5-dipropylpyrazine (CID 59188431) is 3-[(3,6-dipropylpyrazin-2-yl)methyl]-2,5-dipropylpyrazine.
What is the SMILES notation for 3-[(3,6-dipropylpyrazin-2-yl)methyl]-2,5-dipropylpyrazine?
The canonical SMILES for 3-[(3,6-dipropylpyrazin-2-yl)methyl]-2,5-dipropylpyrazine is CCCc1cnc(CCC)c(Cc2nc(CCC)cnc2CCC)n1.
What is the InChIKey of 3-[(3,6-dipropylpyrazin-2-yl)methyl]-2,5-dipropylpyrazine?
The InChIKey is GPJKGMSSGHQHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4/c1-5-9-16-14-22-18(11-7-3)20(24-16)13-21-19(12-8-4)23-15-17(25-21)10-6-2/h14-15H,5-13H2,1-4H3.
What are the key properties of 3-[(3,6-dipropylpyrazin-2-yl)methyl]-2,5-dipropylpyrazine?
3-[(3,6-dipropylpyrazin-2-yl)methyl]-2,5-dipropylpyrazine has a molecular weight of 340.51 g/mol, XLogP of 4.67, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,6-dipropylpyrazin-2-yl)methyl]-2,5-dipropylpyrazine is sourced from PubChem (CID 59188431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).