6-bromo-3-prop-1-en-2-yl-N-[2-(1H-pyrrol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine

C15H16BrN5 — CID 139399721

IUPAC6-bromo-3-prop-1-en-2-yl-N-[2-(1H-pyrrol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine
SMILESC=C(C)c1cnc2c(NCCc3cc[nH]c3)nc(Br)cn12
InChIInChI=1S/C15H16BrN5/c1-10(2)12-8-19-15-14(20-13(16)9-21(12)15)18-6-4-11-3-5-17-7-11/h3,5,7-9,17H,1,4,6H2,2H3,(H,18,20)
InChIKeyARHDLVZOAHKSLE-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.51
Rot. Bonds5

About 6-bromo-3-prop-1-en-2-yl-N-[2-(1H-pyrrol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine

6-bromo-3-prop-1-en-2-yl-N-[2-(1H-pyrrol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 139399721) has the molecular formula C15H16BrN5 and a molecular weight of 346.23 g/mol. Its IUPAC name is 6-bromo-3-prop-1-en-2-yl-N-[2-(1H-pyrrol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-bromo-3-prop-1-en-2-yl-N-[2-(1H-pyrrol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID139399721
Molecular FormulaC15H16BrN5
Molecular Weight346.23 g/mol
Exact Mass345.06
IUPAC Name6-bromo-3-prop-1-en-2-yl-N-[2-(1H-pyrrol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine
SMILESC=C(C)c1cnc2c(NCCc3cc[nH]c3)nc(Br)cn12
InChIInChI=1S/C15H16BrN5/c1-10(2)12-8-19-15-14(20-13(16)9-21(12)15)18-6-4-11-3-5-17-7-11/h3,5,7-9,17H,1,4,6H2,2H3,(H,18,20)
InChIKeyARHDLVZOAHKSLE-UHFFFAOYSA-N
XLogP3.51
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-prop-1-en-2-yl-N-[2-(1H-pyrrol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-bromo-3-prop-1-en-2-yl-N-[2-(1H-pyrrol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine (CID 139399721) is 6-bromo-3-prop-1-en-2-yl-N-[2-(1H-pyrrol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-bromo-3-prop-1-en-2-yl-N-[2-(1H-pyrrol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-bromo-3-prop-1-en-2-yl-N-[2-(1H-pyrrol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine is C=C(C)c1cnc2c(NCCc3cc[nH]c3)nc(Br)cn12.
What is the InChIKey of 6-bromo-3-prop-1-en-2-yl-N-[2-(1H-pyrrol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is ARHDLVZOAHKSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5/c1-10(2)12-8-19-15-14(20-13(16)9-21(12)15)18-6-4-11-3-5-17-7-11/h3,5,7-9,17H,1,4,6H2,2H3,(H,18,20).
What are the key properties of 6-bromo-3-prop-1-en-2-yl-N-[2-(1H-pyrrol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine?
6-bromo-3-prop-1-en-2-yl-N-[2-(1H-pyrrol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 346.23 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-prop-1-en-2-yl-N-[2-(1H-pyrrol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 139399721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).