5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine

C6H11N3O — CID 58431215

IUPAC5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NC(C)C)o1
InChIInChI=1S/C6H11N3O/c1-4(2)7-6-9-8-5(3)10-6/h4H,1-3H3,(H,7,9)
InChIKeyYBOULYBUQLSWCF-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.20
Rot. Bonds2

About 5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine

5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 58431215) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID58431215
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NC(C)C)o1
InChIInChI=1S/C6H11N3O/c1-4(2)7-6-9-8-5(3)10-6/h4H,1-3H3,(H,7,9)
InChIKeyYBOULYBUQLSWCF-UHFFFAOYSA-N
XLogP1.20
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine (CID 58431215) is 5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine is Cc1nnc(NC(C)C)o1.
What is the InChIKey of 5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is YBOULYBUQLSWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-4(2)7-6-9-8-5(3)10-6/h4H,1-3H3,(H,7,9).
What are the key properties of 5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 141.17 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 58431215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).