3-chloro-N-(2,2-diethoxyethyl)pyrazin-2-amine

C10H16ClN3O2 — CID 121204701

IUPAC3-chloro-N-(2,2-diethoxyethyl)pyrazin-2-amine
SMILESCCOC(CNc1nccnc1Cl)OCC
InChIInChI=1S/C10H16ClN3O2/c1-3-15-8(16-4-2)7-14-10-9(11)12-5-6-13-10/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyURAYPMRWVAHETF-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.94
Rot. Bonds7

About 3-chloro-N-(2,2-diethoxyethyl)pyrazin-2-amine

3-chloro-N-(2,2-diethoxyethyl)pyrazin-2-amine (PubChem CID 121204701) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 3-chloro-N-(2,2-diethoxyethyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(2,2-diethoxyethyl)pyrazin-2-amine
PubChem CID121204701
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name3-chloro-N-(2,2-diethoxyethyl)pyrazin-2-amine
SMILESCCOC(CNc1nccnc1Cl)OCC
InChIInChI=1S/C10H16ClN3O2/c1-3-15-8(16-4-2)7-14-10-9(11)12-5-6-13-10/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyURAYPMRWVAHETF-UHFFFAOYSA-N
XLogP1.94
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,2-diethoxyethyl)pyrazin-2-amine?
The IUPAC name of 3-chloro-N-(2,2-diethoxyethyl)pyrazin-2-amine (CID 121204701) is 3-chloro-N-(2,2-diethoxyethyl)pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-(2,2-diethoxyethyl)pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-(2,2-diethoxyethyl)pyrazin-2-amine is CCOC(CNc1nccnc1Cl)OCC.
What is the InChIKey of 3-chloro-N-(2,2-diethoxyethyl)pyrazin-2-amine?
The InChIKey is URAYPMRWVAHETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-3-15-8(16-4-2)7-14-10-9(11)12-5-6-13-10/h5-6,8H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of 3-chloro-N-(2,2-diethoxyethyl)pyrazin-2-amine?
3-chloro-N-(2,2-diethoxyethyl)pyrazin-2-amine has a molecular weight of 245.71 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2-diethoxyethyl)pyrazin-2-amine is sourced from PubChem (CID 121204701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).