3-pentan-2-yloxypyrazine-2-carboximidamide

C10H16N4O — CID 102982106

IUPAC3-pentan-2-yloxypyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1OC(C)CCC
InChIInChI=1S/C10H16N4O/c1-3-4-7(2)15-10-8(9(11)12)13-5-6-14-10/h5-7H,3-4H2,1-2H3,(H3,11,12)
InChIKeyMXDZNEGNRLYZKQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.33
Rot. Bonds5

About 3-pentan-2-yloxypyrazine-2-carboximidamide

3-pentan-2-yloxypyrazine-2-carboximidamide (PubChem CID 102982106) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-pentan-2-yloxypyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-pentan-2-yloxypyrazine-2-carboximidamide
PubChem CID102982106
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-pentan-2-yloxypyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1OC(C)CCC
InChIInChI=1S/C10H16N4O/c1-3-4-7(2)15-10-8(9(11)12)13-5-6-14-10/h5-7H,3-4H2,1-2H3,(H3,11,12)
InChIKeyMXDZNEGNRLYZKQ-UHFFFAOYSA-N
XLogP1.33
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-pentan-2-yloxypyrazine-2-carboximidamide?
The IUPAC name of 3-pentan-2-yloxypyrazine-2-carboximidamide (CID 102982106) is 3-pentan-2-yloxypyrazine-2-carboximidamide.
What is the SMILES notation for 3-pentan-2-yloxypyrazine-2-carboximidamide?
The canonical SMILES for 3-pentan-2-yloxypyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1OC(C)CCC.
What is the InChIKey of 3-pentan-2-yloxypyrazine-2-carboximidamide?
The InChIKey is MXDZNEGNRLYZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-3-4-7(2)15-10-8(9(11)12)13-5-6-14-10/h5-7H,3-4H2,1-2H3,(H3,11,12).
What are the key properties of 3-pentan-2-yloxypyrazine-2-carboximidamide?
3-pentan-2-yloxypyrazine-2-carboximidamide has a molecular weight of 208.26 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-2-yloxypyrazine-2-carboximidamide is sourced from PubChem (CID 102982106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).