(Z)-1-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-2-amine

C8H15N3 — CID 170618230

IUPAC(Z)-1-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-2-amine
SMILESCC/C(N)=C/C1=NCCNC1
InChIInChI=1S/C8H15N3/c1-2-7(9)5-8-6-10-3-4-11-8/h5,10H,2-4,6,9H2,1H3/b7-5-
InChIKeyFOQBPEDQKTXFOR-ALCCZGGFSA-N
MW153.23 g/mol
LogP0.28
Rot. Bonds2

About (Z)-1-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-2-amine

(Z)-1-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-2-amine (PubChem CID 170618230) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (Z)-1-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-2-amine
PubChem CID170618230
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(Z)-1-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-2-amine
SMILESCC/C(N)=C/C1=NCCNC1
InChIInChI=1S/C8H15N3/c1-2-7(9)5-8-6-10-3-4-11-8/h5,10H,2-4,6,9H2,1H3/b7-5-
InChIKeyFOQBPEDQKTXFOR-ALCCZGGFSA-N
XLogP0.28
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-2-amine?
The IUPAC name of (Z)-1-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-2-amine (CID 170618230) is (Z)-1-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-2-amine.
What is the SMILES notation for (Z)-1-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-2-amine?
The canonical SMILES for (Z)-1-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-2-amine is CC/C(N)=C/C1=NCCNC1.
What is the InChIKey of (Z)-1-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-2-amine?
The InChIKey is FOQBPEDQKTXFOR-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H15N3/c1-2-7(9)5-8-6-10-3-4-11-8/h5,10H,2-4,6,9H2,1H3/b7-5-.
What are the key properties of (Z)-1-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-2-amine?
(Z)-1-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-2-amine has a molecular weight of 153.23 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-2-amine is sourced from PubChem (CID 170618230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).