5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazol-3-amine

C4H5N7O — CID 164645306

IUPAC5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazol-3-amine
SMILESCn1nnc(-c2nc(N)no2)n1
InChIInChI=1S/C4H5N7O/c1-11-8-2(7-10-11)3-6-4(5)9-12-3/h1H3,(H2,5,9)
InChIKeyVMKSPGLVQZTBPW-UHFFFAOYSA-N
MW167.13 g/mol
LogP-1.16
Rot. Bonds1

About 5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazol-3-amine

5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazol-3-amine (PubChem CID 164645306) has the molecular formula C4H5N7O and a molecular weight of 167.13 g/mol. Its IUPAC name is 5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazol-3-amine
PubChem CID164645306
Molecular FormulaC4H5N7O
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazol-3-amine
SMILESCn1nnc(-c2nc(N)no2)n1
InChIInChI=1S/C4H5N7O/c1-11-8-2(7-10-11)3-6-4(5)9-12-3/h1H3,(H2,5,9)
InChIKeyVMKSPGLVQZTBPW-UHFFFAOYSA-N
XLogP-1.16
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazol-3-amine (CID 164645306) is 5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazol-3-amine is Cn1nnc(-c2nc(N)no2)n1.
What is the InChIKey of 5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazol-3-amine?
The InChIKey is VMKSPGLVQZTBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N7O/c1-11-8-2(7-10-11)3-6-4(5)9-12-3/h1H3,(H2,5,9).
What are the key properties of 5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazol-3-amine?
5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazol-3-amine has a molecular weight of 167.13 g/mol, XLogP of -1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 164645306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).