4-(6-methylpyrazin-2-yl)but-3-en-1-amine

C9H13N3 — CID 170486445

IUPAC4-(6-methylpyrazin-2-yl)but-3-en-1-amine
SMILESCc1cncc(C=CCCN)n1
InChIInChI=1S/C9H13N3/c1-8-6-11-7-9(12-8)4-2-3-5-10/h2,4,6-7H,3,5,10H2,1H3
InChIKeyBKYMQKOKOMAPAD-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.15
Rot. Bonds3

About 4-(6-methylpyrazin-2-yl)but-3-en-1-amine

4-(6-methylpyrazin-2-yl)but-3-en-1-amine (PubChem CID 170486445) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-(6-methylpyrazin-2-yl)but-3-en-1-amine.

Molecular Properties

Compound Name4-(6-methylpyrazin-2-yl)but-3-en-1-amine
PubChem CID170486445
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name4-(6-methylpyrazin-2-yl)but-3-en-1-amine
SMILESCc1cncc(C=CCCN)n1
InChIInChI=1S/C9H13N3/c1-8-6-11-7-9(12-8)4-2-3-5-10/h2,4,6-7H,3,5,10H2,1H3
InChIKeyBKYMQKOKOMAPAD-UHFFFAOYSA-N
XLogP1.15
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methylpyrazin-2-yl)but-3-en-1-amine?
The IUPAC name of 4-(6-methylpyrazin-2-yl)but-3-en-1-amine (CID 170486445) is 4-(6-methylpyrazin-2-yl)but-3-en-1-amine.
What is the SMILES notation for 4-(6-methylpyrazin-2-yl)but-3-en-1-amine?
The canonical SMILES for 4-(6-methylpyrazin-2-yl)but-3-en-1-amine is Cc1cncc(C=CCCN)n1.
What is the InChIKey of 4-(6-methylpyrazin-2-yl)but-3-en-1-amine?
The InChIKey is BKYMQKOKOMAPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-8-6-11-7-9(12-8)4-2-3-5-10/h2,4,6-7H,3,5,10H2,1H3.
What are the key properties of 4-(6-methylpyrazin-2-yl)but-3-en-1-amine?
4-(6-methylpyrazin-2-yl)but-3-en-1-amine has a molecular weight of 163.22 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylpyrazin-2-yl)but-3-en-1-amine is sourced from PubChem (CID 170486445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).