3-(3-propan-2-ylimidazol-4-yl)-N-propylpyrazin-2-amine

C13H19N5 — CID 112559382

IUPAC3-(3-propan-2-ylimidazol-4-yl)-N-propylpyrazin-2-amine
SMILESCCCNc1nccnc1-c1cncn1C(C)C
InChIInChI=1S/C13H19N5/c1-4-5-16-13-12(15-6-7-17-13)11-8-14-9-18(11)10(2)3/h6-10H,4-5H2,1-3H3,(H,16,17)
InChIKeyIUTOBOWYLKXFPI-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.74
Rot. Bonds5

About 3-(3-propan-2-ylimidazol-4-yl)-N-propylpyrazin-2-amine

3-(3-propan-2-ylimidazol-4-yl)-N-propylpyrazin-2-amine (PubChem CID 112559382) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-(3-propan-2-ylimidazol-4-yl)-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name3-(3-propan-2-ylimidazol-4-yl)-N-propylpyrazin-2-amine
PubChem CID112559382
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-(3-propan-2-ylimidazol-4-yl)-N-propylpyrazin-2-amine
SMILESCCCNc1nccnc1-c1cncn1C(C)C
InChIInChI=1S/C13H19N5/c1-4-5-16-13-12(15-6-7-17-13)11-8-14-9-18(11)10(2)3/h6-10H,4-5H2,1-3H3,(H,16,17)
InChIKeyIUTOBOWYLKXFPI-UHFFFAOYSA-N
XLogP2.74
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-ylimidazol-4-yl)-N-propylpyrazin-2-amine?
The IUPAC name of 3-(3-propan-2-ylimidazol-4-yl)-N-propylpyrazin-2-amine (CID 112559382) is 3-(3-propan-2-ylimidazol-4-yl)-N-propylpyrazin-2-amine.
What is the SMILES notation for 3-(3-propan-2-ylimidazol-4-yl)-N-propylpyrazin-2-amine?
The canonical SMILES for 3-(3-propan-2-ylimidazol-4-yl)-N-propylpyrazin-2-amine is CCCNc1nccnc1-c1cncn1C(C)C.
What is the InChIKey of 3-(3-propan-2-ylimidazol-4-yl)-N-propylpyrazin-2-amine?
The InChIKey is IUTOBOWYLKXFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-5-16-13-12(15-6-7-17-13)11-8-14-9-18(11)10(2)3/h6-10H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 3-(3-propan-2-ylimidazol-4-yl)-N-propylpyrazin-2-amine?
3-(3-propan-2-ylimidazol-4-yl)-N-propylpyrazin-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-ylimidazol-4-yl)-N-propylpyrazin-2-amine is sourced from PubChem (CID 112559382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).