3-propan-2-ylpyrazin-2-amine

C7H11N3 — CID 23548688

IUPAC3-propan-2-ylpyrazin-2-amine
SMILESCC(C)c1nccnc1N
InChIInChI=1S/C7H11N3/c1-5(2)6-7(8)10-4-3-9-6/h3-5H,1-2H3,(H2,8,10)
InChIKeyALKGRKDNOTWDMK-UHFFFAOYSA-N
MW137.19 g/mol
LogP1.18
Rot. Bonds1

About 3-propan-2-ylpyrazin-2-amine

3-propan-2-ylpyrazin-2-amine (PubChem CID 23548688) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 3-propan-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-propan-2-ylpyrazin-2-amine
PubChem CID23548688
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name3-propan-2-ylpyrazin-2-amine
SMILESCC(C)c1nccnc1N
InChIInChI=1S/C7H11N3/c1-5(2)6-7(8)10-4-3-9-6/h3-5H,1-2H3,(H2,8,10)
InChIKeyALKGRKDNOTWDMK-UHFFFAOYSA-N
XLogP1.18
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylpyrazin-2-amine?
The IUPAC name of 3-propan-2-ylpyrazin-2-amine (CID 23548688) is 3-propan-2-ylpyrazin-2-amine.
What is the SMILES notation for 3-propan-2-ylpyrazin-2-amine?
The canonical SMILES for 3-propan-2-ylpyrazin-2-amine is CC(C)c1nccnc1N.
What is the InChIKey of 3-propan-2-ylpyrazin-2-amine?
The InChIKey is ALKGRKDNOTWDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-5(2)6-7(8)10-4-3-9-6/h3-5H,1-2H3,(H2,8,10).
What are the key properties of 3-propan-2-ylpyrazin-2-amine?
3-propan-2-ylpyrazin-2-amine has a molecular weight of 137.19 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylpyrazin-2-amine is sourced from PubChem (CID 23548688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).