3-(4-propan-2-ylpiperazin-1-yl)pyrazine-2-carboximidamide

C12H20N6 — CID 62684885

IUPAC3-(4-propan-2-ylpiperazin-1-yl)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N1CCN(C(C)C)CC1
InChIInChI=1S/C12H20N6/c1-9(2)17-5-7-18(8-6-17)12-10(11(13)14)15-3-4-16-12/h3-4,9H,5-8H2,1-2H3,(H3,13,14)
InChIKeyZFCJJOQTZFEHID-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.29
Rot. Bonds3

About 3-(4-propan-2-ylpiperazin-1-yl)pyrazine-2-carboximidamide

3-(4-propan-2-ylpiperazin-1-yl)pyrazine-2-carboximidamide (PubChem CID 62684885) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(4-propan-2-ylpiperazin-1-yl)pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-(4-propan-2-ylpiperazin-1-yl)pyrazine-2-carboximidamide
PubChem CID62684885
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name3-(4-propan-2-ylpiperazin-1-yl)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N1CCN(C(C)C)CC1
InChIInChI=1S/C12H20N6/c1-9(2)17-5-7-18(8-6-17)12-10(11(13)14)15-3-4-16-12/h3-4,9H,5-8H2,1-2H3,(H3,13,14)
InChIKeyZFCJJOQTZFEHID-UHFFFAOYSA-N
XLogP0.29
TPSA82.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylpiperazin-1-yl)pyrazine-2-carboximidamide?
The IUPAC name of 3-(4-propan-2-ylpiperazin-1-yl)pyrazine-2-carboximidamide (CID 62684885) is 3-(4-propan-2-ylpiperazin-1-yl)pyrazine-2-carboximidamide.
What is the SMILES notation for 3-(4-propan-2-ylpiperazin-1-yl)pyrazine-2-carboximidamide?
The canonical SMILES for 3-(4-propan-2-ylpiperazin-1-yl)pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1N1CCN(C(C)C)CC1.
What is the InChIKey of 3-(4-propan-2-ylpiperazin-1-yl)pyrazine-2-carboximidamide?
The InChIKey is ZFCJJOQTZFEHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-9(2)17-5-7-18(8-6-17)12-10(11(13)14)15-3-4-16-12/h3-4,9H,5-8H2,1-2H3,(H3,13,14).
What are the key properties of 3-(4-propan-2-ylpiperazin-1-yl)pyrazine-2-carboximidamide?
3-(4-propan-2-ylpiperazin-1-yl)pyrazine-2-carboximidamide has a molecular weight of 248.33 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylpiperazin-1-yl)pyrazine-2-carboximidamide is sourced from PubChem (CID 62684885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).