6-(1-cyclopropylpropan-2-ylamino)pyrazine-2-carboxylic acid

C11H15N3O2 — CID 66451523

IUPAC6-(1-cyclopropylpropan-2-ylamino)pyrazine-2-carboxylic acid
SMILESCC(CC1CC1)Nc1cncc(C(=O)O)n1
InChIInChI=1S/C11H15N3O2/c1-7(4-8-2-3-8)13-10-6-12-5-9(14-10)11(15)16/h5-8H,2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyQZHGXAXMCKWZAT-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.78
Rot. Bonds5

About 6-(1-cyclopropylpropan-2-ylamino)pyrazine-2-carboxylic acid

6-(1-cyclopropylpropan-2-ylamino)pyrazine-2-carboxylic acid (PubChem CID 66451523) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 6-(1-cyclopropylpropan-2-ylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(1-cyclopropylpropan-2-ylamino)pyrazine-2-carboxylic acid
PubChem CID66451523
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name6-(1-cyclopropylpropan-2-ylamino)pyrazine-2-carboxylic acid
SMILESCC(CC1CC1)Nc1cncc(C(=O)O)n1
InChIInChI=1S/C11H15N3O2/c1-7(4-8-2-3-8)13-10-6-12-5-9(14-10)11(15)16/h5-8H,2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyQZHGXAXMCKWZAT-UHFFFAOYSA-N
XLogP1.78
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropylpropan-2-ylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(1-cyclopropylpropan-2-ylamino)pyrazine-2-carboxylic acid (CID 66451523) is 6-(1-cyclopropylpropan-2-ylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(1-cyclopropylpropan-2-ylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(1-cyclopropylpropan-2-ylamino)pyrazine-2-carboxylic acid is CC(CC1CC1)Nc1cncc(C(=O)O)n1.
What is the InChIKey of 6-(1-cyclopropylpropan-2-ylamino)pyrazine-2-carboxylic acid?
The InChIKey is QZHGXAXMCKWZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7(4-8-2-3-8)13-10-6-12-5-9(14-10)11(15)16/h5-8H,2-4H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 6-(1-cyclopropylpropan-2-ylamino)pyrazine-2-carboxylic acid?
6-(1-cyclopropylpropan-2-ylamino)pyrazine-2-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropylpropan-2-ylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66451523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).