5-pentan-2-yloxypyrazin-2-amine

C9H15N3O — CID 102988499

IUPAC5-pentan-2-yloxypyrazin-2-amine
SMILESCCCC(C)Oc1cnc(N)cn1
InChIInChI=1S/C9H15N3O/c1-3-4-7(2)13-9-6-11-8(10)5-12-9/h5-7H,3-4H2,1-2H3,(H2,10,11)
InChIKeyBFYUMFHGYFIDKB-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.63
Rot. Bonds4

About 5-pentan-2-yloxypyrazin-2-amine

5-pentan-2-yloxypyrazin-2-amine (PubChem CID 102988499) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-pentan-2-yloxypyrazin-2-amine.

Molecular Properties

Compound Name5-pentan-2-yloxypyrazin-2-amine
PubChem CID102988499
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-pentan-2-yloxypyrazin-2-amine
SMILESCCCC(C)Oc1cnc(N)cn1
InChIInChI=1S/C9H15N3O/c1-3-4-7(2)13-9-6-11-8(10)5-12-9/h5-7H,3-4H2,1-2H3,(H2,10,11)
InChIKeyBFYUMFHGYFIDKB-UHFFFAOYSA-N
XLogP1.63
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pentan-2-yloxypyrazin-2-amine?
The IUPAC name of 5-pentan-2-yloxypyrazin-2-amine (CID 102988499) is 5-pentan-2-yloxypyrazin-2-amine.
What is the SMILES notation for 5-pentan-2-yloxypyrazin-2-amine?
The canonical SMILES for 5-pentan-2-yloxypyrazin-2-amine is CCCC(C)Oc1cnc(N)cn1.
What is the InChIKey of 5-pentan-2-yloxypyrazin-2-amine?
The InChIKey is BFYUMFHGYFIDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-4-7(2)13-9-6-11-8(10)5-12-9/h5-7H,3-4H2,1-2H3,(H2,10,11).
What are the key properties of 5-pentan-2-yloxypyrazin-2-amine?
5-pentan-2-yloxypyrazin-2-amine has a molecular weight of 181.24 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-2-yloxypyrazin-2-amine is sourced from PubChem (CID 102988499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).