4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylic acid

C9H12BrN5O2 — CID 87383897

IUPAC4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylic acid
SMILESNc1nc(Br)cnc1N1CCN(C(=O)O)CC1
InChIInChI=1S/C9H12BrN5O2/c10-6-5-12-8(7(11)13-6)14-1-3-15(4-2-14)9(16)17/h5H,1-4H2,(H2,11,13)(H,16,17)
InChIKeyQSBZGQYWMBQMNE-UHFFFAOYSA-N
MW302.13 g/mol
LogP0.62
Rot. Bonds1

About 4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylic acid

4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylic acid (PubChem CID 87383897) has the molecular formula C9H12BrN5O2 and a molecular weight of 302.13 g/mol. Its IUPAC name is 4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylic acid
PubChem CID87383897
Molecular FormulaC9H12BrN5O2
Molecular Weight302.13 g/mol
Exact Mass301.02
IUPAC Name4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylic acid
SMILESNc1nc(Br)cnc1N1CCN(C(=O)O)CC1
InChIInChI=1S/C9H12BrN5O2/c10-6-5-12-8(7(11)13-6)14-1-3-15(4-2-14)9(16)17/h5H,1-4H2,(H2,11,13)(H,16,17)
InChIKeyQSBZGQYWMBQMNE-UHFFFAOYSA-N
XLogP0.62
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylic acid
CID 87370649
4-(4-amino-5-bromopyrimidin-2-yl)piperazine-1-carboxylic acid
CID 67394845
4-[5-bromo-3-[2-(dimethylamino)ethylideneamino]pyrazin-2-yl]piperazine-1-carboxylic acid
CID 87392572
4-(5-aminopyrazin-2-yl)piperazine-1-carboxylic acid
CID 141367991
4-(6-amino-3,5-dichloro-2-pyridinyl)piperazine-1-carboxylic acid
CID 123681527
4-(5-bromoimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylic acid
CID 87383524
1-(3-amino-6-bromopyrazin-2-yl)piperidine-4-carboxylic acid
CID 71448569
4-(3-amino-6-bromopyrazin-2-yl)oxypiperidine-1-carboxylic acid
CID 87370877
4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carboxylic acid
CID 141315989
tert-butyl 4-(5-bromo-3-hydrazinylpyrazin-2-yl)piperazine-1-carboxylate
CID 58447020
4-(5-iodopyrimidin-4-yl)piperazine-1-carboxylic acid
CID 150512037
3-amino-6-bromopyrazine-2-carboxylic acid
CID 18521600

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylic acid (CID 87383897) is 4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylic acid is Nc1nc(Br)cnc1N1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylic acid?
The InChIKey is QSBZGQYWMBQMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN5O2/c10-6-5-12-8(7(11)13-6)14-1-3-15(4-2-14)9(16)17/h5H,1-4H2,(H2,11,13)(H,16,17).
What are the key properties of 4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylic acid?
4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylic acid has a molecular weight of 302.13 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 87383897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).