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

C13H20N6O — CID 106960619

IUPACN-[(5-methylpyrazin-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NCc2cnc(C)cn2)o1
InChIInChI=1S/C13H20N6O/c1-4-5-14-10(3)12-18-19-13(20-12)17-8-11-7-15-9(2)6-16-11/h6-7,10,14H,4-5,8H2,1-3H3,(H,17,19)
InChIKeyUUVHPQDZHPLDLV-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.84
Rot. Bonds7

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

N-[(5-methylpyrazin-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106960619) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106960619
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NCc2cnc(C)cn2)o1
InChIInChI=1S/C13H20N6O/c1-4-5-14-10(3)12-18-19-13(20-12)17-8-11-7-15-9(2)6-16-11/h6-7,10,14H,4-5,8H2,1-3H3,(H,17,19)
InChIKeyUUVHPQDZHPLDLV-UHFFFAOYSA-N
XLogP1.84
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106960619) is N-[(5-methylpyrazin-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCCNC(C)c1nnc(NCc2cnc(C)cn2)o1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is UUVHPQDZHPLDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-4-5-14-10(3)12-18-19-13(20-12)17-8-11-7-15-9(2)6-16-11/h6-7,10,14H,4-5,8H2,1-3H3,(H,17,19).
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-[(5-methylpyrazin-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 276.34 g/mol, XLogP of 1.84, 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-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).