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

C10H14N6O — CID 106960618

IUPAC5-(1-aminoethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cnc(CNc2nnc(C(C)N)o2)cn1
InChIInChI=1S/C10H14N6O/c1-6-3-13-8(4-12-6)5-14-10-16-15-9(17-10)7(2)11/h3-4,7H,5,11H2,1-2H3,(H,14,16)
InChIKeyJWCVMOULQAHVAY-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.80
Rot. Bonds4

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

5-(1-aminoethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106960618) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106960618
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name5-(1-aminoethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cnc(CNc2nnc(C(C)N)o2)cn1
InChIInChI=1S/C10H14N6O/c1-6-3-13-8(4-12-6)5-14-10-16-15-9(17-10)7(2)11/h3-4,7H,5,11H2,1-2H3,(H,14,16)
InChIKeyJWCVMOULQAHVAY-UHFFFAOYSA-N
XLogP0.80
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 106960618) is 5-(1-aminoethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine is Cc1cnc(CNc2nnc(C(C)N)o2)cn1.
What is the InChIKey of 5-(1-aminoethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is JWCVMOULQAHVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-6-3-13-8(4-12-6)5-14-10-16-15-9(17-10)7(2)11/h3-4,7H,5,11H2,1-2H3,(H,14,16).
What are the key properties of 5-(1-aminoethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-(1-aminoethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 234.26 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).