3-amino-5-(propan-2-ylamino)pyrazine-2-carboxylic acid

C8H12N4O2 — CID 68817225

IUPAC3-amino-5-(propan-2-ylamino)pyrazine-2-carboxylic acid
SMILESCC(C)Nc1cnc(C(=O)O)c(N)n1
InChIInChI=1S/C8H12N4O2/c1-4(2)11-5-3-10-6(8(13)14)7(9)12-5/h3-4H,1-2H3,(H,13,14)(H3,9,11,12)
InChIKeyVLVHTFTXSOZCQD-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.58
Rot. Bonds3

About 3-amino-5-(propan-2-ylamino)pyrazine-2-carboxylic acid

3-amino-5-(propan-2-ylamino)pyrazine-2-carboxylic acid (PubChem CID 68817225) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-amino-5-(propan-2-ylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(propan-2-ylamino)pyrazine-2-carboxylic acid
PubChem CID68817225
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name3-amino-5-(propan-2-ylamino)pyrazine-2-carboxylic acid
SMILESCC(C)Nc1cnc(C(=O)O)c(N)n1
InChIInChI=1S/C8H12N4O2/c1-4(2)11-5-3-10-6(8(13)14)7(9)12-5/h3-4H,1-2H3,(H,13,14)(H3,9,11,12)
InChIKeyVLVHTFTXSOZCQD-UHFFFAOYSA-N
XLogP0.58
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(propan-2-ylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-5-(propan-2-ylamino)pyrazine-2-carboxylic acid (CID 68817225) is 3-amino-5-(propan-2-ylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(propan-2-ylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(propan-2-ylamino)pyrazine-2-carboxylic acid is CC(C)Nc1cnc(C(=O)O)c(N)n1.
What is the InChIKey of 3-amino-5-(propan-2-ylamino)pyrazine-2-carboxylic acid?
The InChIKey is VLVHTFTXSOZCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-4(2)11-5-3-10-6(8(13)14)7(9)12-5/h3-4H,1-2H3,(H,13,14)(H3,9,11,12).
What are the key properties of 3-amino-5-(propan-2-ylamino)pyrazine-2-carboxylic acid?
3-amino-5-(propan-2-ylamino)pyrazine-2-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(propan-2-ylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 68817225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).