3-(aminomethyl)-N-propan-2-ylpyrazin-2-amine

C8H14N4 — CID 62673418

IUPAC3-(aminomethyl)-N-propan-2-ylpyrazin-2-amine
SMILESCC(C)Nc1nccnc1CN
InChIInChI=1S/C8H14N4/c1-6(2)12-8-7(5-9)10-3-4-11-8/h3-4,6H,5,9H2,1-2H3,(H,11,12)
InChIKeySKRLSAXASKBZCZ-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.76
Rot. Bonds3

About 3-(aminomethyl)-N-propan-2-ylpyrazin-2-amine

3-(aminomethyl)-N-propan-2-ylpyrazin-2-amine (PubChem CID 62673418) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 3-(aminomethyl)-N-propan-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-propan-2-ylpyrazin-2-amine
PubChem CID62673418
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name3-(aminomethyl)-N-propan-2-ylpyrazin-2-amine
SMILESCC(C)Nc1nccnc1CN
InChIInChI=1S/C8H14N4/c1-6(2)12-8-7(5-9)10-3-4-11-8/h3-4,6H,5,9H2,1-2H3,(H,11,12)
InChIKeySKRLSAXASKBZCZ-UHFFFAOYSA-N
XLogP0.76
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-propan-2-ylpyrazin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-propan-2-ylpyrazin-2-amine (CID 62673418) is 3-(aminomethyl)-N-propan-2-ylpyrazin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-propan-2-ylpyrazin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-propan-2-ylpyrazin-2-amine is CC(C)Nc1nccnc1CN.
What is the InChIKey of 3-(aminomethyl)-N-propan-2-ylpyrazin-2-amine?
The InChIKey is SKRLSAXASKBZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-6(2)12-8-7(5-9)10-3-4-11-8/h3-4,6H,5,9H2,1-2H3,(H,11,12).
What are the key properties of 3-(aminomethyl)-N-propan-2-ylpyrazin-2-amine?
3-(aminomethyl)-N-propan-2-ylpyrazin-2-amine has a molecular weight of 166.23 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-propan-2-ylpyrazin-2-amine is sourced from PubChem (CID 62673418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).