3-[(2-chlorophenyl)methoxy]pyrazine-2-carboximidamide

C12H11ClN4O — CID 62685766

IUPAC3-[(2-chlorophenyl)methoxy]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1OCc1ccccc1Cl
InChIInChI=1S/C12H11ClN4O/c13-9-4-2-1-3-8(9)7-18-12-10(11(14)15)16-5-6-17-12/h1-6H,7H2,(H3,14,15)
InChIKeyIOERTCVEKYDNIH-UHFFFAOYSA-N
MW262.70 g/mol
LogP1.99
Rot. Bonds4

About 3-[(2-chlorophenyl)methoxy]pyrazine-2-carboximidamide

3-[(2-chlorophenyl)methoxy]pyrazine-2-carboximidamide (PubChem CID 62685766) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]pyrazine-2-carboximidamide
PubChem CID62685766
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC Name3-[(2-chlorophenyl)methoxy]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1OCc1ccccc1Cl
InChIInChI=1S/C12H11ClN4O/c13-9-4-2-1-3-8(9)7-18-12-10(11(14)15)16-5-6-17-12/h1-6H,7H2,(H3,14,15)
InChIKeyIOERTCVEKYDNIH-UHFFFAOYSA-N
XLogP1.99
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 51.99
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-[(2-chlorophenyl)methoxy]pyrazine-2-carboximidamide?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]pyrazine-2-carboximidamide (CID 62685766) is 3-[(2-chlorophenyl)methoxy]pyrazine-2-carboximidamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]pyrazine-2-carboximidamide?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1OCc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]pyrazine-2-carboximidamide?
The InChIKey is IOERTCVEKYDNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c13-9-4-2-1-3-8(9)7-18-12-10(11(14)15)16-5-6-17-12/h1-6H,7H2,(H3,14,15).
What are the key properties of 3-[(2-chlorophenyl)methoxy]pyrazine-2-carboximidamide?
3-[(2-chlorophenyl)methoxy]pyrazine-2-carboximidamide has a molecular weight of 262.70 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxy]pyrazine-2-carboximidamide is sourced from PubChem (CID 62685766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).