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

C12H16N6O — CID 106960617

IUPAC5-[(cyclopropylamino)methyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cnc(CNc2nnc(CNC3CC3)o2)cn1
InChIInChI=1S/C12H16N6O/c1-8-4-14-10(5-13-8)6-16-12-18-17-11(19-12)7-15-9-2-3-9/h4-5,9,15H,2-3,6-7H2,1H3,(H,16,18)
InChIKeyBLNOEZUIQFGMDX-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.03
Rot. Bonds6

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

5-[(cyclopropylamino)methyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106960617) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106960617
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name5-[(cyclopropylamino)methyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cnc(CNc2nnc(CNC3CC3)o2)cn1
InChIInChI=1S/C12H16N6O/c1-8-4-14-10(5-13-8)6-16-12-18-17-11(19-12)7-15-9-2-3-9/h4-5,9,15H,2-3,6-7H2,1H3,(H,16,18)
InChIKeyBLNOEZUIQFGMDX-UHFFFAOYSA-N
XLogP1.03
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 106960617) is 5-[(cyclopropylamino)methyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine is Cc1cnc(CNc2nnc(CNC3CC3)o2)cn1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is BLNOEZUIQFGMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-8-4-14-10(5-13-8)6-16-12-18-17-11(19-12)7-15-9-2-3-9/h4-5,9,15H,2-3,6-7H2,1H3,(H,16,18).
What are the key properties of 5-[(cyclopropylamino)methyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 260.30 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).