5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid

C10H15N3O3 — CID 106136489

IUPAC5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid
SMILESCC(O)CCCNc1cnc(C(=O)O)cn1
InChIInChI=1S/C10H15N3O3/c1-7(14)3-2-4-11-9-6-12-8(5-13-9)10(15)16/h5-7,14H,2-4H2,1H3,(H,11,13)(H,15,16)
InChIKeyZIYQOAHEVGVQKR-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.75
Rot. Bonds6

About 5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid

5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid (PubChem CID 106136489) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid
PubChem CID106136489
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid
SMILESCC(O)CCCNc1cnc(C(=O)O)cn1
InChIInChI=1S/C10H15N3O3/c1-7(14)3-2-4-11-9-6-12-8(5-13-9)10(15)16/h5-7,14H,2-4H2,1H3,(H,11,13)(H,15,16)
InChIKeyZIYQOAHEVGVQKR-UHFFFAOYSA-N
XLogP0.75
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(7-methyloctylamino)pyrazine-2-carboxylic acid
CID 107815534
5-[3-(2-methylpropylsulfanyl)propylamino]pyrazine-2-carboxylic acid
CID 122054578
5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid
CID 107372326
5-[(5-amino-2-pyridinyl)amino]pentan-2-ol
CID 106119738
5-[(5-methoxy-4,4-dimethylpentyl)amino]pyrazine-2-carboxylic acid
CID 122057461
6-(3-hydroxybutylamino)pyrazine-2-carboxylic acid
CID 66450555
2-(4-hydroxypentylamino)pyridine-4-carboxylic acid
CID 106136491
5-[2-(ethylsulfonylamino)ethylamino]pyrazine-2-carboxylic acid
CID 122053496
5-(2-ethylhexylamino)pyrazine-2-carboxylic acid
CID 107815568
5-[(5-tert-butyl-2-pyridinyl)amino]pentan-2-ol
CID 106129039
5-[1-(dimethylamino)propan-2-ylamino]pyrazine-2-carboxylic acid
CID 82949530
6-(4-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid
CID 106136497

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid (CID 106136489) is 5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid is CC(O)CCCNc1cnc(C(=O)O)cn1.
What is the InChIKey of 5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid?
The InChIKey is ZIYQOAHEVGVQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7(14)3-2-4-11-9-6-12-8(5-13-9)10(15)16/h5-7,14H,2-4H2,1H3,(H,11,13)(H,15,16).
What are the key properties of 5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid?
5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 106136489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).