5-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid

C10H15N3O3 — CID 107372388

IUPAC5-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid
SMILESCC(C)N(CCO)c1cnc(C(=O)O)cn1
InChIInChI=1S/C10H15N3O3/c1-7(2)13(3-4-14)9-6-11-8(5-12-9)10(15)16/h5-7,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyJCGLSNFLVFTJJZ-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.38
Rot. Bonds5

About 5-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid

5-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid (PubChem CID 107372388) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid
PubChem CID107372388
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name5-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid
SMILESCC(C)N(CCO)c1cnc(C(=O)O)cn1
InChIInChI=1S/C10H15N3O3/c1-7(2)13(3-4-14)9-6-11-8(5-12-9)10(15)16/h5-7,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyJCGLSNFLVFTJJZ-UHFFFAOYSA-N
XLogP0.38
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5,6-dimethylpyrazin-2-yl)-propan-2-ylamino]ethanol
CID 114476739
2-[(5-chloro-2-pyridinyl)-propan-2-ylamino]ethanol
CID 61150137
5-[methyl(propan-2-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684747
5-[carboxymethyl(propyl)amino]pyrazine-2-carboxylic acid
CID 122051553
5-[propan-2-yl(propyl)amino]pyridine-2-carboxylic acid
CID 115490777
6-[3-hydroxypropyl(propan-2-yl)amino]pyridine-3-carbaldehyde
CID 80636803
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid
CID 107372485
5-[benzyl(propan-2-yl)amino]-N-phenylpyrazine-2-carboxamide
CID 109287716
5-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyrazine-2-carboxamide
CID 109287711
6-[2-methoxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid
CID 82950912
3-[(5-fluoro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 61314147
5-(propan-2-ylsulfanylmethyl)pyrazine-2-carboxylic acid
CID 117213287

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid (CID 107372388) is 5-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid is CC(C)N(CCO)c1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid?
The InChIKey is JCGLSNFLVFTJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7(2)13(3-4-14)9-6-11-8(5-12-9)10(15)16/h5-7,14H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 5-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid?
5-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 107372388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).