3-(2-aminopropylamino)pyrazine-2-carboxamide

C8H13N5O — CID 63732548

IUPAC3-(2-aminopropylamino)pyrazine-2-carboxamide
SMILESCC(N)CNc1nccnc1C(N)=O
InChIInChI=1S/C8H13N5O/c1-5(9)4-13-8-6(7(10)14)11-2-3-12-8/h2-3,5H,4,9H2,1H3,(H2,10,14)(H,12,13)
InChIKeyXAHOKNBYGBIKRY-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.67
Rot. Bonds4

About 3-(2-aminopropylamino)pyrazine-2-carboxamide

3-(2-aminopropylamino)pyrazine-2-carboxamide (PubChem CID 63732548) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 3-(2-aminopropylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(2-aminopropylamino)pyrazine-2-carboxamide
PubChem CID63732548
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name3-(2-aminopropylamino)pyrazine-2-carboxamide
SMILESCC(N)CNc1nccnc1C(N)=O
InChIInChI=1S/C8H13N5O/c1-5(9)4-13-8-6(7(10)14)11-2-3-12-8/h2-3,5H,4,9H2,1H3,(H2,10,14)(H,12,13)
InChIKeyXAHOKNBYGBIKRY-UHFFFAOYSA-N
XLogP-0.67
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropylamino)pyrazine-2-carboxamide?
The IUPAC name of 3-(2-aminopropylamino)pyrazine-2-carboxamide (CID 63732548) is 3-(2-aminopropylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 3-(2-aminopropylamino)pyrazine-2-carboxamide?
The canonical SMILES for 3-(2-aminopropylamino)pyrazine-2-carboxamide is CC(N)CNc1nccnc1C(N)=O.
What is the InChIKey of 3-(2-aminopropylamino)pyrazine-2-carboxamide?
The InChIKey is XAHOKNBYGBIKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-5(9)4-13-8-6(7(10)14)11-2-3-12-8/h2-3,5H,4,9H2,1H3,(H2,10,14)(H,12,13).
What are the key properties of 3-(2-aminopropylamino)pyrazine-2-carboxamide?
3-(2-aminopropylamino)pyrazine-2-carboxamide has a molecular weight of 195.23 g/mol, XLogP of -0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 63732548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).