5-(chloromethyl)-N-propan-2-yl-N-propylpyrazin-2-amine

C11H18ClN3 — CID 107373326

IUPAC5-(chloromethyl)-N-propan-2-yl-N-propylpyrazin-2-amine
SMILESCCCN(c1cnc(CCl)cn1)C(C)C
InChIInChI=1S/C11H18ClN3/c1-4-5-15(9(2)3)11-8-13-10(6-12)7-14-11/h7-9H,4-6H2,1-3H3
InChIKeyAXUPBSRMBMJBQR-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.84
Rot. Bonds5

About 5-(chloromethyl)-N-propan-2-yl-N-propylpyrazin-2-amine

5-(chloromethyl)-N-propan-2-yl-N-propylpyrazin-2-amine (PubChem CID 107373326) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 5-(chloromethyl)-N-propan-2-yl-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-propan-2-yl-N-propylpyrazin-2-amine
PubChem CID107373326
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name5-(chloromethyl)-N-propan-2-yl-N-propylpyrazin-2-amine
SMILESCCCN(c1cnc(CCl)cn1)C(C)C
InChIInChI=1S/C11H18ClN3/c1-4-5-15(9(2)3)11-8-13-10(6-12)7-14-11/h7-9H,4-6H2,1-3H3
InChIKeyAXUPBSRMBMJBQR-UHFFFAOYSA-N
XLogP2.84
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-propan-2-yl-N-propylpyrazin-2-amine?
The IUPAC name of 5-(chloromethyl)-N-propan-2-yl-N-propylpyrazin-2-amine (CID 107373326) is 5-(chloromethyl)-N-propan-2-yl-N-propylpyrazin-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-propan-2-yl-N-propylpyrazin-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-propan-2-yl-N-propylpyrazin-2-amine is CCCN(c1cnc(CCl)cn1)C(C)C.
What is the InChIKey of 5-(chloromethyl)-N-propan-2-yl-N-propylpyrazin-2-amine?
The InChIKey is AXUPBSRMBMJBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-4-5-15(9(2)3)11-8-13-10(6-12)7-14-11/h7-9H,4-6H2,1-3H3.
What are the key properties of 5-(chloromethyl)-N-propan-2-yl-N-propylpyrazin-2-amine?
5-(chloromethyl)-N-propan-2-yl-N-propylpyrazin-2-amine has a molecular weight of 227.74 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-propan-2-yl-N-propylpyrazin-2-amine is sourced from PubChem (CID 107373326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).