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

C9H12N6O — CID 106960613

IUPAC5-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cnc(CNc2nnc(CN)o2)cn1
InChIInChI=1S/C9H12N6O/c1-6-3-12-7(4-11-6)5-13-9-15-14-8(2-10)16-9/h3-4H,2,5,10H2,1H3,(H,13,15)
InChIKeyWLPGIEZCJDHJBM-UHFFFAOYSA-N
MW220.24 g/mol
LogP0.24
Rot. Bonds4

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

5-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106960613) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106960613
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name5-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cnc(CNc2nnc(CN)o2)cn1
InChIInChI=1S/C9H12N6O/c1-6-3-12-7(4-11-6)5-13-9-15-14-8(2-10)16-9/h3-4H,2,5,10H2,1H3,(H,13,15)
InChIKeyWLPGIEZCJDHJBM-UHFFFAOYSA-N
XLogP0.24
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 106960613) is 5-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine is Cc1cnc(CNc2nnc(CN)o2)cn1.
What is the InChIKey of 5-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is WLPGIEZCJDHJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-6-3-12-7(4-11-6)5-13-9-15-14-8(2-10)16-9/h3-4H,2,5,10H2,1H3,(H,13,15).
What are the key properties of 5-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 220.24 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).