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

C12H17N5O — CID 72922721

IUPAC5-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cnc(CNc2nnc(C(C)(C)C)o2)cn1
InChIInChI=1S/C12H17N5O/c1-8-5-14-9(6-13-8)7-15-11-17-16-10(18-11)12(2,3)4/h5-6H,7H2,1-4H3,(H,15,17)
InChIKeyQFIJFOAOUCMVPL-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.08
Rot. Bonds3

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

5-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 72922721) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID72922721
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name5-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cnc(CNc2nnc(C(C)(C)C)o2)cn1
InChIInChI=1S/C12H17N5O/c1-8-5-14-9(6-13-8)7-15-11-17-16-10(18-11)12(2,3)4/h5-6H,7H2,1-4H3,(H,15,17)
InChIKeyQFIJFOAOUCMVPL-UHFFFAOYSA-N
XLogP2.08
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 72922721) is 5-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine is Cc1cnc(CNc2nnc(C(C)(C)C)o2)cn1.
What is the InChIKey of 5-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is QFIJFOAOUCMVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-5-14-9(6-13-8)7-15-11-17-16-10(18-11)12(2,3)4/h5-6H,7H2,1-4H3,(H,15,17).
What are the key properties of 5-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 247.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72922721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).