5-(chloromethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine

C9H10ClN5O — CID 106957566

IUPAC5-(chloromethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cnc(CNc2nnc(CCl)o2)cn1
InChIInChI=1S/C9H10ClN5O/c1-6-3-12-7(4-11-6)5-13-9-15-14-8(2-10)16-9/h3-4H,2,5H2,1H3,(H,13,15)
InChIKeyNHSZPSDZCOFVKH-UHFFFAOYSA-N
MW239.67 g/mol
LogP1.52
Rot. Bonds4

About 5-(chloromethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine

5-(chloromethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106957566) has the molecular formula C9H10ClN5O and a molecular weight of 239.67 g/mol. Its IUPAC name is 5-(chloromethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106957566
Molecular FormulaC9H10ClN5O
Molecular Weight239.67 g/mol
Exact Mass239.06
IUPAC Name5-(chloromethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cnc(CNc2nnc(CCl)o2)cn1
InChIInChI=1S/C9H10ClN5O/c1-6-3-12-7(4-11-6)5-13-9-15-14-8(2-10)16-9/h3-4H,2,5H2,1H3,(H,13,15)
InChIKeyNHSZPSDZCOFVKH-UHFFFAOYSA-N
XLogP1.52
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.67
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(chloromethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 106957566) is 5-(chloromethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine is Cc1cnc(CNc2nnc(CCl)o2)cn1.
What is the InChIKey of 5-(chloromethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is NHSZPSDZCOFVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O/c1-6-3-12-7(4-11-6)5-13-9-15-14-8(2-10)16-9/h3-4H,2,5H2,1H3,(H,13,15).
What are the key properties of 5-(chloromethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-(chloromethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 239.67 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106957566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).