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

C6H8N6O — CID 62808404

IUPAC4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESCc1nc(-c2nonc2N)n(C)n1
InChIInChI=1S/C6H8N6O/c1-3-8-6(12(2)9-3)4-5(7)11-13-10-4/h1-2H3,(H2,7,11)
InChIKeyQUEJWVCNSOZUQO-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.24
Rot. Bonds1

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

4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 62808404) has the molecular formula C6H8N6O and a molecular weight of 180.17 g/mol. Its IUPAC name is 4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
PubChem CID62808404
Molecular FormulaC6H8N6O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESCc1nc(-c2nonc2N)n(C)n1
InChIInChI=1S/C6H8N6O/c1-3-8-6(12(2)9-3)4-5(7)11-13-10-4/h1-2H3,(H2,7,11)
InChIKeyQUEJWVCNSOZUQO-UHFFFAOYSA-N
XLogP-0.24
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (CID 62808404) is 4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is Cc1nc(-c2nonc2N)n(C)n1.
What is the InChIKey of 4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is QUEJWVCNSOZUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O/c1-3-8-6(12(2)9-3)4-5(7)11-13-10-4/h1-2H3,(H2,7,11).
What are the key properties of 4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 180.17 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 62808404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).