N'-(4-bromobenzoyl)-5-methylpyrazine-2-carbohydrazide

C13H11BrN4O2 — CID 2711880

IUPACN'-(4-bromobenzoyl)-5-methylpyrazine-2-carbohydrazide
SMILESCc1cnc(C(=O)NNC(=O)c2ccc(Br)cc2)cn1
InChIInChI=1S/C13H11BrN4O2/c1-8-6-16-11(7-15-8)13(20)18-17-12(19)9-2-4-10(14)5-3-9/h2-7H,1H3,(H,17,19)(H,18,20)
InChIKeyYDXNVEKPWOPIOB-UHFFFAOYSA-N
MW335.16 g/mol
LogP1.62
Rot. Bonds2

About N'-(4-bromobenzoyl)-5-methylpyrazine-2-carbohydrazide

N'-(4-bromobenzoyl)-5-methylpyrazine-2-carbohydrazide (PubChem CID 2711880) has the molecular formula C13H11BrN4O2 and a molecular weight of 335.16 g/mol. Its IUPAC name is N'-(4-bromobenzoyl)-5-methylpyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-bromobenzoyl)-5-methylpyrazine-2-carbohydrazide
PubChem CID2711880
Molecular FormulaC13H11BrN4O2
Molecular Weight335.16 g/mol
Exact Mass334.01
IUPAC NameN'-(4-bromobenzoyl)-5-methylpyrazine-2-carbohydrazide
SMILESCc1cnc(C(=O)NNC(=O)c2ccc(Br)cc2)cn1
InChIInChI=1S/C13H11BrN4O2/c1-8-6-16-11(7-15-8)13(20)18-17-12(19)9-2-4-10(14)5-3-9/h2-7H,1H3,(H,17,19)(H,18,20)
InChIKeyYDXNVEKPWOPIOB-UHFFFAOYSA-N
XLogP1.62
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-bromobenzoyl)-5-methylpyrazine-2-carbohydrazide?
The IUPAC name of N'-(4-bromobenzoyl)-5-methylpyrazine-2-carbohydrazide (CID 2711880) is N'-(4-bromobenzoyl)-5-methylpyrazine-2-carbohydrazide.
What is the SMILES notation for N'-(4-bromobenzoyl)-5-methylpyrazine-2-carbohydrazide?
The canonical SMILES for N'-(4-bromobenzoyl)-5-methylpyrazine-2-carbohydrazide is Cc1cnc(C(=O)NNC(=O)c2ccc(Br)cc2)cn1.
What is the InChIKey of N'-(4-bromobenzoyl)-5-methylpyrazine-2-carbohydrazide?
The InChIKey is YDXNVEKPWOPIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O2/c1-8-6-16-11(7-15-8)13(20)18-17-12(19)9-2-4-10(14)5-3-9/h2-7H,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(4-bromobenzoyl)-5-methylpyrazine-2-carbohydrazide?
N'-(4-bromobenzoyl)-5-methylpyrazine-2-carbohydrazide has a molecular weight of 335.16 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromobenzoyl)-5-methylpyrazine-2-carbohydrazide is sourced from PubChem (CID 2711880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).