(5-methyl-1,3,4-oxadiazol-2-yl)methanamine

C4H7N3O — CID 14442192

IUPAC(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCc1nnc(CN)o1
InChIInChI=1S/C4H7N3O/c1-3-6-7-4(2-5)8-3/h2,5H2,1H3
InChIKeyXCCHRWGNGFXIPS-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.16
Rot. Bonds1

About (5-methyl-1,3,4-oxadiazol-2-yl)methanamine

(5-methyl-1,3,4-oxadiazol-2-yl)methanamine (PubChem CID 14442192) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is (5-methyl-1,3,4-oxadiazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
PubChem CID14442192
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCc1nnc(CN)o1
InChIInChI=1S/C4H7N3O/c1-3-6-7-4(2-5)8-3/h2,5H2,1H3
InChIKeyXCCHRWGNGFXIPS-UHFFFAOYSA-N
XLogP-0.16
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methanamine?
The IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methanamine (CID 14442192) is (5-methyl-1,3,4-oxadiazol-2-yl)methanamine.
What is the SMILES notation for (5-methyl-1,3,4-oxadiazol-2-yl)methanamine?
The canonical SMILES for (5-methyl-1,3,4-oxadiazol-2-yl)methanamine is Cc1nnc(CN)o1.
What is the InChIKey of (5-methyl-1,3,4-oxadiazol-2-yl)methanamine?
The InChIKey is XCCHRWGNGFXIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c1-3-6-7-4(2-5)8-3/h2,5H2,1H3.
What are the key properties of (5-methyl-1,3,4-oxadiazol-2-yl)methanamine?
(5-methyl-1,3,4-oxadiazol-2-yl)methanamine has a molecular weight of 113.12 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3,4-oxadiazol-2-yl)methanamine is sourced from PubChem (CID 14442192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).