N-(2,6-dibromo-4-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide

C12H11Br2N5O — CID 107377960

IUPACN-(2,6-dibromo-4-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2cnc(NN)cn2)c(Br)c1
InChIInChI=1S/C12H11Br2N5O/c1-6-2-7(13)11(8(14)3-6)18-12(20)9-4-17-10(19-15)5-16-9/h2-5H,15H2,1H3,(H,17,19)(H,18,20)
InChIKeyWFPQXOHACAJNDS-UHFFFAOYSA-N
MW401.06 g/mol
LogP2.85
Rot. Bonds3

About N-(2,6-dibromo-4-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide

N-(2,6-dibromo-4-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide (PubChem CID 107377960) has the molecular formula C12H11Br2N5O and a molecular weight of 401.06 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide
PubChem CID107377960
Molecular FormulaC12H11Br2N5O
Molecular Weight401.06 g/mol
Exact Mass398.93
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2cnc(NN)cn2)c(Br)c1
InChIInChI=1S/C12H11Br2N5O/c1-6-2-7(13)11(8(14)3-6)18-12(20)9-4-17-10(19-15)5-16-9/h2-5H,15H2,1H3,(H,17,19)(H,18,20)
InChIKeyWFPQXOHACAJNDS-UHFFFAOYSA-N
XLogP2.85
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.06
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-6-chloro-4-fluorophenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107616865
N-(4-bromophenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107377733
5-amino-N-(2,4,6-tribromophenyl)pyrazine-2-carboxamide
CID 107374395
5-hydrazinyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 107377417
N-(2-amino-6-bromo-4-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 116813696
5-hydrazinyl-N-pyrimidin-5-ylpyrazine-2-carboxamide
CID 107590045
5-hydrazinyl-N-(3,4,5-trifluorophenyl)pyrazine-2-carboxamide
CID 107378182
N-(2,6-dibromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide
CID 81256030
5-hydrazinyl-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 107378263
5-hydrazinyl-N-propan-2-ylpyrazine-2-carboxamide
CID 107377682
5-(2-methylpropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109273026
5-hydrazinyl-N-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 107377514

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide (CID 107377960) is N-(2,6-dibromo-4-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide is Cc1cc(Br)c(NC(=O)c2cnc(NN)cn2)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide?
The InChIKey is WFPQXOHACAJNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N5O/c1-6-2-7(13)11(8(14)3-6)18-12(20)9-4-17-10(19-15)5-16-9/h2-5H,15H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide?
N-(2,6-dibromo-4-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide has a molecular weight of 401.06 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide is sourced from PubChem (CID 107377960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).