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

C10H12ClN5O — CID 106957567

IUPAC5-(1-chloroethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cnc(CNc2nnc(C(C)Cl)o2)cn1
InChIInChI=1S/C10H12ClN5O/c1-6-3-13-8(4-12-6)5-14-10-16-15-9(17-10)7(2)11/h3-4,7H,5H2,1-2H3,(H,14,16)
InChIKeyGNCLDZGNQBUIJT-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.08
Rot. Bonds4

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

5-(1-chloroethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106957567) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 5-(1-chloroethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-chloroethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106957567
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name5-(1-chloroethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cnc(CNc2nnc(C(C)Cl)o2)cn1
InChIInChI=1S/C10H12ClN5O/c1-6-3-13-8(4-12-6)5-14-10-16-15-9(17-10)7(2)11/h3-4,7H,5H2,1-2H3,(H,14,16)
InChIKeyGNCLDZGNQBUIJT-UHFFFAOYSA-N
XLogP2.08
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.08
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-(1-chloroethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-chloroethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 106957567) is 5-(1-chloroethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-chloroethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-chloroethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine is Cc1cnc(CNc2nnc(C(C)Cl)o2)cn1.
What is the InChIKey of 5-(1-chloroethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is GNCLDZGNQBUIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c1-6-3-13-8(4-12-6)5-14-10-16-15-9(17-10)7(2)11/h3-4,7H,5H2,1-2H3,(H,14,16).
What are the key properties of 5-(1-chloroethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-(1-chloroethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 253.69 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106957567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).