5-bromo-3-N-[(4-nitrosophenyl)methyl]pyrazine-2,3-diamine

C11H10BrN5O — CID 142987140

IUPAC5-bromo-3-N-[(4-nitrosophenyl)methyl]pyrazine-2,3-diamine
SMILESNc1ncc(Br)nc1NCc1ccc(N=O)cc1
InChIInChI=1S/C11H10BrN5O/c12-9-6-14-10(13)11(16-9)15-5-7-1-3-8(17-18)4-2-7/h1-4,6H,5H2,(H2,13,14)(H,15,16)
InChIKeySAURUKLRQGKYHI-UHFFFAOYSA-N
MW308.14 g/mol
LogP2.83
Rot. Bonds4

About 5-bromo-3-N-[(4-nitrosophenyl)methyl]pyrazine-2,3-diamine

5-bromo-3-N-[(4-nitrosophenyl)methyl]pyrazine-2,3-diamine (PubChem CID 142987140) has the molecular formula C11H10BrN5O and a molecular weight of 308.14 g/mol. Its IUPAC name is 5-bromo-3-N-[(4-nitrosophenyl)methyl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-3-N-[(4-nitrosophenyl)methyl]pyrazine-2,3-diamine
PubChem CID142987140
Molecular FormulaC11H10BrN5O
Molecular Weight308.14 g/mol
Exact Mass307.01
IUPAC Name5-bromo-3-N-[(4-nitrosophenyl)methyl]pyrazine-2,3-diamine
SMILESNc1ncc(Br)nc1NCc1ccc(N=O)cc1
InChIInChI=1S/C11H10BrN5O/c12-9-6-14-10(13)11(16-9)15-5-7-1-3-8(17-18)4-2-7/h1-4,6H,5H2,(H2,13,14)(H,15,16)
InChIKeySAURUKLRQGKYHI-UHFFFAOYSA-N
XLogP2.83
TPSA93.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-N-[(4-nitrosophenyl)methyl]pyrazine-2,3-diamine?
The IUPAC name of 5-bromo-3-N-[(4-nitrosophenyl)methyl]pyrazine-2,3-diamine (CID 142987140) is 5-bromo-3-N-[(4-nitrosophenyl)methyl]pyrazine-2,3-diamine.
What is the SMILES notation for 5-bromo-3-N-[(4-nitrosophenyl)methyl]pyrazine-2,3-diamine?
The canonical SMILES for 5-bromo-3-N-[(4-nitrosophenyl)methyl]pyrazine-2,3-diamine is Nc1ncc(Br)nc1NCc1ccc(N=O)cc1.
What is the InChIKey of 5-bromo-3-N-[(4-nitrosophenyl)methyl]pyrazine-2,3-diamine?
The InChIKey is SAURUKLRQGKYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN5O/c12-9-6-14-10(13)11(16-9)15-5-7-1-3-8(17-18)4-2-7/h1-4,6H,5H2,(H2,13,14)(H,15,16).
What are the key properties of 5-bromo-3-N-[(4-nitrosophenyl)methyl]pyrazine-2,3-diamine?
5-bromo-3-N-[(4-nitrosophenyl)methyl]pyrazine-2,3-diamine has a molecular weight of 308.14 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-N-[(4-nitrosophenyl)methyl]pyrazine-2,3-diamine is sourced from PubChem (CID 142987140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).