5-bromo-3-(1,4-diazepan-1-yl)pyrazin-2-amine

C9H14BrN5 — CID 16740450

IUPAC5-bromo-3-(1,4-diazepan-1-yl)pyrazin-2-amine
SMILESNc1ncc(Br)nc1N1CCCNCC1
InChIInChI=1S/C9H14BrN5/c10-7-6-13-8(11)9(14-7)15-4-1-2-12-3-5-15/h6,12H,1-5H2,(H2,11,13)
InChIKeySHBAZYWQPREMSZ-UHFFFAOYSA-N
MW272.15 g/mol
LogP0.62
Rot. Bonds1

About 5-bromo-3-(1,4-diazepan-1-yl)pyrazin-2-amine

5-bromo-3-(1,4-diazepan-1-yl)pyrazin-2-amine (PubChem CID 16740450) has the molecular formula C9H14BrN5 and a molecular weight of 272.15 g/mol. Its IUPAC name is 5-bromo-3-(1,4-diazepan-1-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(1,4-diazepan-1-yl)pyrazin-2-amine
PubChem CID16740450
Molecular FormulaC9H14BrN5
Molecular Weight272.15 g/mol
Exact Mass271.04
IUPAC Name5-bromo-3-(1,4-diazepan-1-yl)pyrazin-2-amine
SMILESNc1ncc(Br)nc1N1CCCNCC1
InChIInChI=1S/C9H14BrN5/c10-7-6-13-8(11)9(14-7)15-4-1-2-12-3-5-15/h6,12H,1-5H2,(H2,11,13)
InChIKeySHBAZYWQPREMSZ-UHFFFAOYSA-N
XLogP0.62
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1,4-diazepan-1-yl)pyrazin-2-amine?
The IUPAC name of 5-bromo-3-(1,4-diazepan-1-yl)pyrazin-2-amine (CID 16740450) is 5-bromo-3-(1,4-diazepan-1-yl)pyrazin-2-amine.
What is the SMILES notation for 5-bromo-3-(1,4-diazepan-1-yl)pyrazin-2-amine?
The canonical SMILES for 5-bromo-3-(1,4-diazepan-1-yl)pyrazin-2-amine is Nc1ncc(Br)nc1N1CCCNCC1.
What is the InChIKey of 5-bromo-3-(1,4-diazepan-1-yl)pyrazin-2-amine?
The InChIKey is SHBAZYWQPREMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN5/c10-7-6-13-8(11)9(14-7)15-4-1-2-12-3-5-15/h6,12H,1-5H2,(H2,11,13).
What are the key properties of 5-bromo-3-(1,4-diazepan-1-yl)pyrazin-2-amine?
5-bromo-3-(1,4-diazepan-1-yl)pyrazin-2-amine has a molecular weight of 272.15 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1,4-diazepan-1-yl)pyrazin-2-amine is sourced from PubChem (CID 16740450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).