5-(2-methylpentoxy)pyrazine-2-carboximidamide

C11H18N4O — CID 103283955

IUPAC5-(2-methylpentoxy)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1cnc(OCC(C)CCC)cn1
InChIInChI=1S/C11H18N4O/c1-3-4-8(2)7-16-10-6-14-9(5-15-10)11(12)13/h5-6,8H,3-4,7H2,1-2H3,(H3,12,13)
InChIKeyYHUHZMOMWBASDB-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.58
Rot. Bonds6

About 5-(2-methylpentoxy)pyrazine-2-carboximidamide

5-(2-methylpentoxy)pyrazine-2-carboximidamide (PubChem CID 103283955) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-(2-methylpentoxy)pyrazine-2-carboximidamide.

Molecular Properties

Compound Name5-(2-methylpentoxy)pyrazine-2-carboximidamide
PubChem CID103283955
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-(2-methylpentoxy)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1cnc(OCC(C)CCC)cn1
InChIInChI=1S/C11H18N4O/c1-3-4-8(2)7-16-10-6-14-9(5-15-10)11(12)13/h5-6,8H,3-4,7H2,1-2H3,(H3,12,13)
InChIKeyYHUHZMOMWBASDB-UHFFFAOYSA-N
XLogP1.58
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.58
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 5-(2-methylpentoxy)pyrazine-2-carboximidamide?
The IUPAC name of 5-(2-methylpentoxy)pyrazine-2-carboximidamide (CID 103283955) is 5-(2-methylpentoxy)pyrazine-2-carboximidamide.
What is the SMILES notation for 5-(2-methylpentoxy)pyrazine-2-carboximidamide?
The canonical SMILES for 5-(2-methylpentoxy)pyrazine-2-carboximidamide is [H]/N=C(\N)c1cnc(OCC(C)CCC)cn1.
What is the InChIKey of 5-(2-methylpentoxy)pyrazine-2-carboximidamide?
The InChIKey is YHUHZMOMWBASDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-4-8(2)7-16-10-6-14-9(5-15-10)11(12)13/h5-6,8H,3-4,7H2,1-2H3,(H3,12,13).
What are the key properties of 5-(2-methylpentoxy)pyrazine-2-carboximidamide?
5-(2-methylpentoxy)pyrazine-2-carboximidamide has a molecular weight of 222.29 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpentoxy)pyrazine-2-carboximidamide is sourced from PubChem (CID 103283955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).