N-[(4-bromophenyl)methyl]pyrazin-2-amine

C11H10BrN3 — CID 11334551

IUPACN-[(4-bromophenyl)methyl]pyrazin-2-amine
SMILESBrc1ccc(CNc2cnccn2)cc1
InChIInChI=1S/C11H10BrN3/c12-10-3-1-9(2-4-10)7-15-11-8-13-5-6-14-11/h1-6,8H,7H2,(H,14,15)
InChIKeyBERVLFFJFVJXEB-UHFFFAOYSA-N
MW264.13 g/mol
LogP2.85
Rot. Bonds3

About N-[(4-bromophenyl)methyl]pyrazin-2-amine

N-[(4-bromophenyl)methyl]pyrazin-2-amine (PubChem CID 11334551) has the molecular formula C11H10BrN3 and a molecular weight of 264.13 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]pyrazin-2-amine
PubChem CID11334551
Molecular FormulaC11H10BrN3
Molecular Weight264.13 g/mol
Exact Mass263.01
IUPAC NameN-[(4-bromophenyl)methyl]pyrazin-2-amine
SMILESBrc1ccc(CNc2cnccn2)cc1
InChIInChI=1S/C11H10BrN3/c12-10-3-1-9(2-4-10)7-15-11-8-13-5-6-14-11/h1-6,8H,7H2,(H,14,15)
InChIKeyBERVLFFJFVJXEB-UHFFFAOYSA-N
XLogP2.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]pyrazin-2-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]pyrazin-2-amine (CID 11334551) is N-[(4-bromophenyl)methyl]pyrazin-2-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]pyrazin-2-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]pyrazin-2-amine is Brc1ccc(CNc2cnccn2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]pyrazin-2-amine?
The InChIKey is BERVLFFJFVJXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3/c12-10-3-1-9(2-4-10)7-15-11-8-13-5-6-14-11/h1-6,8H,7H2,(H,14,15).
What are the key properties of N-[(4-bromophenyl)methyl]pyrazin-2-amine?
N-[(4-bromophenyl)methyl]pyrazin-2-amine has a molecular weight of 264.13 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 11334551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).