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

C10H12ClN5O — CID 106957568

IUPAC5-(2-chloroethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cnc(CNc2nnc(CCCl)o2)cn1
InChIInChI=1S/C10H12ClN5O/c1-7-4-13-8(5-12-7)6-14-10-16-15-9(17-10)2-3-11/h4-5H,2-3,6H2,1H3,(H,14,16)
InChIKeyBJYIPQLMYOXGDL-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.56
Rot. Bonds5

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

5-(2-chloroethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106957568) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 5-(2-chloroethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chloroethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106957568
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name5-(2-chloroethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cnc(CNc2nnc(CCCl)o2)cn1
InChIInChI=1S/C10H12ClN5O/c1-7-4-13-8(5-12-7)6-14-10-16-15-9(17-10)2-3-11/h4-5H,2-3,6H2,1H3,(H,14,16)
InChIKeyBJYIPQLMYOXGDL-UHFFFAOYSA-N
XLogP1.56
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-Tert-butyl-N-[(5-methylpyrazin-2-YL)methyl]-1,3,4-oxadiazol-2-amine
CID 72922721
2-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine
CID 103436970
5-(chloromethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106957566
5-(1-chloroethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106957567
N-[(5-methylpyrazin-2-yl)methyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106960612
5-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960613
5-(methylaminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960614
5-(2-aminoethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960615
N-[(5-methylpyrazin-2-yl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960616
5-[(cyclopropylamino)methyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960617
5-(1-aminoethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960618
N-[(5-methylpyrazin-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960619

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-chloroethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 106957568) is 5-(2-chloroethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-chloroethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-chloroethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine is Cc1cnc(CNc2nnc(CCCl)o2)cn1.
What is the InChIKey of 5-(2-chloroethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is BJYIPQLMYOXGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c1-7-4-13-8(5-12-7)6-14-10-16-15-9(17-10)2-3-11/h4-5H,2-3,6H2,1H3,(H,14,16).
What are the key properties of 5-(2-chloroethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-(2-chloroethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 253.69 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106957568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).