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

C5H6N6O — CID 58778287

IUPAC4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESCc1nc(-c2nonc2N)n[nH]1
InChIInChI=1S/C5H6N6O/c1-2-7-5(9-8-2)3-4(6)11-12-10-3/h1H3,(H2,6,11)(H,7,8,9)
InChIKeyQCALZXYBUGVSJI-UHFFFAOYSA-N
MW166.14 g/mol
LogP-0.25
Rot. Bonds1

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

4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 58778287) has the molecular formula C5H6N6O and a molecular weight of 166.14 g/mol. Its IUPAC name is 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
PubChem CID58778287
Molecular FormulaC5H6N6O
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Name4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESCc1nc(-c2nonc2N)n[nH]1
InChIInChI=1S/C5H6N6O/c1-2-7-5(9-8-2)3-4(6)11-12-10-3/h1H3,(H2,6,11)(H,7,8,9)
InChIKeyQCALZXYBUGVSJI-UHFFFAOYSA-N
XLogP-0.25
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (CID 58778287) is 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is Cc1nc(-c2nonc2N)n[nH]1.
What is the InChIKey of 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is QCALZXYBUGVSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6O/c1-2-7-5(9-8-2)3-4(6)11-12-10-3/h1H3,(H2,6,11)(H,7,8,9).
What are the key properties of 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 166.14 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 58778287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).