N-methyl-1,3,4-oxadiazol-2-amine

C3H5N3O — CID 15561714

IUPACN-methyl-1,3,4-oxadiazol-2-amine
SMILESCNc1nnco1
InChIInChI=1S/C3H5N3O/c1-4-3-6-5-2-7-3/h2H,1H3,(H,4,6)
InChIKeyOFRJEBLQKJTZMG-UHFFFAOYSA-N
MW99.09 g/mol
LogP0.11
Rot. Bonds1

About N-methyl-1,3,4-oxadiazol-2-amine

N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 15561714) has the molecular formula C3H5N3O and a molecular weight of 99.09 g/mol. Its IUPAC name is N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-1,3,4-oxadiazol-2-amine
PubChem CID15561714
Molecular FormulaC3H5N3O
Molecular Weight99.09 g/mol
Exact Mass99.04
IUPAC NameN-methyl-1,3,4-oxadiazol-2-amine
SMILESCNc1nnco1
InChIInChI=1S/C3H5N3O/c1-4-3-6-5-2-7-3/h2H,1H3,(H,4,6)
InChIKeyOFRJEBLQKJTZMG-UHFFFAOYSA-N
XLogP0.11
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-methyl-1,3,4-oxadiazol-2-amine (CID 15561714) is N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-methyl-1,3,4-oxadiazol-2-amine is CNc1nnco1.
What is the InChIKey of N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is OFRJEBLQKJTZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O/c1-4-3-6-5-2-7-3/h2H,1H3,(H,4,6).
What are the key properties of N-methyl-1,3,4-oxadiazol-2-amine?
N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 99.09 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 15561714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).