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

C7H10N6O — CID 62793718

IUPAC5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
SMILESCC(C)c1noc(-c2nc(N)n[nH]2)n1
InChIInChI=1S/C7H10N6O/c1-3(2)4-9-6(14-13-4)5-10-7(8)12-11-5/h3H,1-2H3,(H3,8,10,11,12)
InChIKeyMFPNRTXCEAFHBH-UHFFFAOYSA-N
MW194.20 g/mol
LogP0.56
Rot. Bonds2

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

5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 62793718) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
PubChem CID62793718
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
SMILESCC(C)c1noc(-c2nc(N)n[nH]2)n1
InChIInChI=1S/C7H10N6O/c1-3(2)4-9-6(14-13-4)5-10-7(8)12-11-5/h3H,1-2H3,(H3,8,10,11,12)
InChIKeyMFPNRTXCEAFHBH-UHFFFAOYSA-N
XLogP0.56
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine (CID 62793718) is 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine is CC(C)c1noc(-c2nc(N)n[nH]2)n1.
What is the InChIKey of 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is MFPNRTXCEAFHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O/c1-3(2)4-9-6(14-13-4)5-10-7(8)12-11-5/h3H,1-2H3,(H3,8,10,11,12).
What are the key properties of 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 194.20 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 62793718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).