6-[(1-propan-2-ylpyrazol-3-yl)amino]pyrazine-2-carboxylic acid

C11H13N5O2 — CID 114250935

IUPAC6-[(1-propan-2-ylpyrazol-3-yl)amino]pyrazine-2-carboxylic acid
SMILESCC(C)n1ccc(Nc2cncc(C(=O)O)n2)n1
InChIInChI=1S/C11H13N5O2/c1-7(2)16-4-3-9(15-16)14-10-6-12-5-8(13-10)11(17)18/h3-7H,1-2H3,(H,17,18)(H,13,14,15)
InChIKeySFTIWMSZQPXJCV-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.70
Rot. Bonds4

About 6-[(1-propan-2-ylpyrazol-3-yl)amino]pyrazine-2-carboxylic acid

6-[(1-propan-2-ylpyrazol-3-yl)amino]pyrazine-2-carboxylic acid (PubChem CID 114250935) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 6-[(1-propan-2-ylpyrazol-3-yl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(1-propan-2-ylpyrazol-3-yl)amino]pyrazine-2-carboxylic acid
PubChem CID114250935
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name6-[(1-propan-2-ylpyrazol-3-yl)amino]pyrazine-2-carboxylic acid
SMILESCC(C)n1ccc(Nc2cncc(C(=O)O)n2)n1
InChIInChI=1S/C11H13N5O2/c1-7(2)16-4-3-9(15-16)14-10-6-12-5-8(13-10)11(17)18/h3-7H,1-2H3,(H,17,18)(H,13,14,15)
InChIKeySFTIWMSZQPXJCV-UHFFFAOYSA-N
XLogP1.70
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-propan-2-yloxyanilino)pyrazine-2-carboxylic acid
CID 66456786
5-chloro-6-[(1-propan-2-ylpyrazol-3-yl)amino]pyridine-3-carboxylic acid
CID 114250932
2-[(1-propan-2-ylpyrazol-3-yl)amino]acetic acid
CID 130495843
6-(3-methylanilino)pyrazine-2-carboxylic acid
CID 66455982
6-(2-cyanoanilino)pyrazine-2-carboxylic acid
CID 66457354
6-[1-(5-methylfuran-2-yl)ethylamino]pyrazine-2-carboxylic acid
CID 66451234
6-(3-hydroxybutylamino)pyrazine-2-carboxylic acid
CID 66450555
6-(4-carbamoylanilino)pyrazine-2-carboxylic acid
CID 66458122
6-(2-chloro-3-methylanilino)pyrazine-2-carboxylic acid
CID 114250898
6-(2,6-dichloro-3-methylanilino)pyrazine-2-carboxylic acid
CID 66457328
6-[1-(2-methylphenyl)ethylamino]pyrazine-2-carboxylic acid
CID 66449868
pyrazine-2,6-dicarboxylic acid
CID 11601391

Frequently Asked Questions

What is the IUPAC name of 6-[(1-propan-2-ylpyrazol-3-yl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[(1-propan-2-ylpyrazol-3-yl)amino]pyrazine-2-carboxylic acid (CID 114250935) is 6-[(1-propan-2-ylpyrazol-3-yl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[(1-propan-2-ylpyrazol-3-yl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[(1-propan-2-ylpyrazol-3-yl)amino]pyrazine-2-carboxylic acid is CC(C)n1ccc(Nc2cncc(C(=O)O)n2)n1.
What is the InChIKey of 6-[(1-propan-2-ylpyrazol-3-yl)amino]pyrazine-2-carboxylic acid?
The InChIKey is SFTIWMSZQPXJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-7(2)16-4-3-9(15-16)14-10-6-12-5-8(13-10)11(17)18/h3-7H,1-2H3,(H,17,18)(H,13,14,15).
What are the key properties of 6-[(1-propan-2-ylpyrazol-3-yl)amino]pyrazine-2-carboxylic acid?
6-[(1-propan-2-ylpyrazol-3-yl)amino]pyrazine-2-carboxylic acid has a molecular weight of 247.26 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-propan-2-ylpyrazol-3-yl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 114250935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).