2-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine

C8H10N6O — CID 103436970

IUPAC2-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine
SMILESCc1cnc(CNc2nnc(N)o2)cn1
InChIInChI=1S/C8H10N6O/c1-5-2-11-6(3-10-5)4-12-8-14-13-7(9)15-8/h2-3H,4H2,1H3,(H2,9,13)(H,12,14)
InChIKeyDVKRJULVUWIYLV-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.36
Rot. Bonds3

About 2-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine

2-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103436970) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine
PubChem CID103436970
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name2-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine
SMILESCc1cnc(CNc2nnc(N)o2)cn1
InChIInChI=1S/C8H10N6O/c1-5-2-11-6(3-10-5)4-12-8-14-13-7(9)15-8/h2-3H,4H2,1H3,(H2,9,13)(H,12,14)
InChIKeyDVKRJULVUWIYLV-UHFFFAOYSA-N
XLogP0.36
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine (CID 103436970) is 2-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine is Cc1cnc(CNc2nnc(N)o2)cn1.
What is the InChIKey of 2-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is DVKRJULVUWIYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c1-5-2-11-6(3-10-5)4-12-8-14-13-7(9)15-8/h2-3H,4H2,1H3,(H2,9,13)(H,12,14).
What are the key properties of 2-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine?
2-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 206.21 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103436970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).