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

C12H18N6O — CID 106960616

IUPACN-[(5-methylpyrazin-2-yl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(NCc2cnc(C)cn2)o1
InChIInChI=1S/C12H18N6O/c1-3-4-13-8-11-17-18-12(19-11)16-7-10-6-14-9(2)5-15-10/h5-6,13H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyDQLDIUBGKUJNMU-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.28
Rot. Bonds7

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

N-[(5-methylpyrazin-2-yl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106960616) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106960616
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(NCc2cnc(C)cn2)o1
InChIInChI=1S/C12H18N6O/c1-3-4-13-8-11-17-18-12(19-11)16-7-10-6-14-9(2)5-15-10/h5-6,13H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyDQLDIUBGKUJNMU-UHFFFAOYSA-N
XLogP1.28
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106960616) is N-[(5-methylpyrazin-2-yl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine is CCCNCc1nnc(NCc2cnc(C)cn2)o1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is DQLDIUBGKUJNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-3-4-13-8-11-17-18-12(19-11)16-7-10-6-14-9(2)5-15-10/h5-6,13H,3-4,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-[(5-methylpyrazin-2-yl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 262.32 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).