3-amino-N'-(5-bromothiophene-2-carbonyl)pyrazine-2-carbohydrazide

C10H8BrN5O2S — CID 41484180

IUPAC3-amino-N'-(5-bromothiophene-2-carbonyl)pyrazine-2-carbohydrazide
SMILESNc1nccnc1C(=O)NNC(=O)c1ccc(Br)s1
InChIInChI=1S/C10H8BrN5O2S/c11-6-2-1-5(19-6)9(17)15-16-10(18)7-8(12)14-4-3-13-7/h1-4H,(H2,12,14)(H,15,17)(H,16,18)
InChIKeyOMFQWFKVZWXQAX-UHFFFAOYSA-N
MW342.18 g/mol
LogP0.96
Rot. Bonds2

About 3-amino-N'-(5-bromothiophene-2-carbonyl)pyrazine-2-carbohydrazide

3-amino-N'-(5-bromothiophene-2-carbonyl)pyrazine-2-carbohydrazide (PubChem CID 41484180) has the molecular formula C10H8BrN5O2S and a molecular weight of 342.18 g/mol. Its IUPAC name is 3-amino-N'-(5-bromothiophene-2-carbonyl)pyrazine-2-carbohydrazide.

Molecular Properties

Compound Name3-amino-N'-(5-bromothiophene-2-carbonyl)pyrazine-2-carbohydrazide
PubChem CID41484180
Molecular FormulaC10H8BrN5O2S
Molecular Weight342.18 g/mol
Exact Mass340.96
IUPAC Name3-amino-N'-(5-bromothiophene-2-carbonyl)pyrazine-2-carbohydrazide
SMILESNc1nccnc1C(=O)NNC(=O)c1ccc(Br)s1
InChIInChI=1S/C10H8BrN5O2S/c11-6-2-1-5(19-6)9(17)15-16-10(18)7-8(12)14-4-3-13-7/h1-4H,(H2,12,14)(H,15,17)(H,16,18)
InChIKeyOMFQWFKVZWXQAX-UHFFFAOYSA-N
XLogP0.96
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-bromothiophene-2-carbonyl)-6-methylpyridine-3-carbohydrazide
CID 32770697
5-bromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide
CID 26662526
N'-(5-bromothiophene-2-carbonyl)-5-nitrothiophene-2-carbohydrazide
CID 26662499
5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 55821937
3-amino-N'-(cyclopropanecarbonyl)pyrazine-2-carbohydrazide
CID 36706406
N'-(5-bromothiophene-2-carbonyl)-6-methoxypyridine-3-carbohydrazide
CID 31729518
5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide
CID 64997082
3-amino-N'-(3-methylbutanoyl)pyrazine-2-carbohydrazide
CID 30174136
3-amino-N'-(3-chlorophenyl)pyrazine-2-carbohydrazide
CID 43054084
N'-(5-bromothiophene-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide
CID 31729161
N'-(5-bromothiophene-2-carbonyl)quinoline-2-carbohydrazide
CID 4787478
N'-(5-bromothiophene-2-carbonyl)-1-methylpyrazole-4-carbohydrazide
CID 9154765

Frequently Asked Questions

What is the IUPAC name of 3-amino-N'-(5-bromothiophene-2-carbonyl)pyrazine-2-carbohydrazide?
The IUPAC name of 3-amino-N'-(5-bromothiophene-2-carbonyl)pyrazine-2-carbohydrazide (CID 41484180) is 3-amino-N'-(5-bromothiophene-2-carbonyl)pyrazine-2-carbohydrazide.
What is the SMILES notation for 3-amino-N'-(5-bromothiophene-2-carbonyl)pyrazine-2-carbohydrazide?
The canonical SMILES for 3-amino-N'-(5-bromothiophene-2-carbonyl)pyrazine-2-carbohydrazide is Nc1nccnc1C(=O)NNC(=O)c1ccc(Br)s1.
What is the InChIKey of 3-amino-N'-(5-bromothiophene-2-carbonyl)pyrazine-2-carbohydrazide?
The InChIKey is OMFQWFKVZWXQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN5O2S/c11-6-2-1-5(19-6)9(17)15-16-10(18)7-8(12)14-4-3-13-7/h1-4H,(H2,12,14)(H,15,17)(H,16,18).
What are the key properties of 3-amino-N'-(5-bromothiophene-2-carbonyl)pyrazine-2-carbohydrazide?
3-amino-N'-(5-bromothiophene-2-carbonyl)pyrazine-2-carbohydrazide has a molecular weight of 342.18 g/mol, XLogP of 0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N'-(5-bromothiophene-2-carbonyl)pyrazine-2-carbohydrazide is sourced from PubChem (CID 41484180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).