3-(3-methylpyrazin-2-yl)butan-1-amine

C9H15N3 — CID 82596948

IUPAC3-(3-methylpyrazin-2-yl)butan-1-amine
SMILESCc1nccnc1C(C)CCN
InChIInChI=1S/C9H15N3/c1-7(3-4-10)9-8(2)11-5-6-12-9/h5-7H,3-4,10H2,1-2H3
InChIKeyJLKJTSOLSFWDST-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.24
Rot. Bonds3

About 3-(3-methylpyrazin-2-yl)butan-1-amine

3-(3-methylpyrazin-2-yl)butan-1-amine (PubChem CID 82596948) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-(3-methylpyrazin-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-(3-methylpyrazin-2-yl)butan-1-amine
PubChem CID82596948
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-(3-methylpyrazin-2-yl)butan-1-amine
SMILESCc1nccnc1C(C)CCN
InChIInChI=1S/C9H15N3/c1-7(3-4-10)9-8(2)11-5-6-12-9/h5-7H,3-4,10H2,1-2H3
InChIKeyJLKJTSOLSFWDST-UHFFFAOYSA-N
XLogP1.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrazin-2-yl)butan-1-amine?
The IUPAC name of 3-(3-methylpyrazin-2-yl)butan-1-amine (CID 82596948) is 3-(3-methylpyrazin-2-yl)butan-1-amine.
What is the SMILES notation for 3-(3-methylpyrazin-2-yl)butan-1-amine?
The canonical SMILES for 3-(3-methylpyrazin-2-yl)butan-1-amine is Cc1nccnc1C(C)CCN.
What is the InChIKey of 3-(3-methylpyrazin-2-yl)butan-1-amine?
The InChIKey is JLKJTSOLSFWDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7(3-4-10)9-8(2)11-5-6-12-9/h5-7H,3-4,10H2,1-2H3.
What are the key properties of 3-(3-methylpyrazin-2-yl)butan-1-amine?
3-(3-methylpyrazin-2-yl)butan-1-amine has a molecular weight of 165.24 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrazin-2-yl)butan-1-amine is sourced from PubChem (CID 82596948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).