6-butylpyrazin-2-amine

C8H13N3 — CID 89087055

IUPAC6-butylpyrazin-2-amine
SMILESCCCCc1cncc(N)n1
InChIInChI=1S/C8H13N3/c1-2-3-4-7-5-10-6-8(9)11-7/h5-6H,2-4H2,1H3,(H2,9,11)
InChIKeySSSGSAKOARLKQG-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.40
Rot. Bonds3

About 6-butylpyrazin-2-amine

6-butylpyrazin-2-amine (PubChem CID 89087055) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 6-butylpyrazin-2-amine.

Molecular Properties

Compound Name6-butylpyrazin-2-amine
PubChem CID89087055
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name6-butylpyrazin-2-amine
SMILESCCCCc1cncc(N)n1
InChIInChI=1S/C8H13N3/c1-2-3-4-7-5-10-6-8(9)11-7/h5-6H,2-4H2,1H3,(H2,9,11)
InChIKeySSSGSAKOARLKQG-UHFFFAOYSA-N
XLogP1.40
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-butylpyrazin-2-amine?
The IUPAC name of 6-butylpyrazin-2-amine (CID 89087055) is 6-butylpyrazin-2-amine.
What is the SMILES notation for 6-butylpyrazin-2-amine?
The canonical SMILES for 6-butylpyrazin-2-amine is CCCCc1cncc(N)n1.
What is the InChIKey of 6-butylpyrazin-2-amine?
The InChIKey is SSSGSAKOARLKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-3-4-7-5-10-6-8(9)11-7/h5-6H,2-4H2,1H3,(H2,9,11).
What are the key properties of 6-butylpyrazin-2-amine?
6-butylpyrazin-2-amine has a molecular weight of 151.21 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylpyrazin-2-amine is sourced from PubChem (CID 89087055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).