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

C7H10N6O — CID 62805912

IUPAC4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESCCc1nc(-c2nonc2N)n(C)n1
InChIInChI=1S/C7H10N6O/c1-3-4-9-7(13(2)10-4)5-6(8)12-14-11-5/h3H2,1-2H3,(H2,8,12)
InChIKeyXMLAQMLYSFNGIG-UHFFFAOYSA-N
MW194.20 g/mol
LogP0.01
Rot. Bonds2

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

4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 62805912) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is 4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
PubChem CID62805912
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESCCc1nc(-c2nonc2N)n(C)n1
InChIInChI=1S/C7H10N6O/c1-3-4-9-7(13(2)10-4)5-6(8)12-14-11-5/h3H2,1-2H3,(H2,8,12)
InChIKeyXMLAQMLYSFNGIG-UHFFFAOYSA-N
XLogP0.01
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Furazan, 3-(dimethylaminomethylenamino)-4-(1,2,4-triazol-3-yl)-
CID 557765
4,4'-(1-propyl-1H-1,2,4-triazole-3,5-diyl)bis(1,2,5-oxadiazol-3-amine)
CID 1907917
4,4'-(1-ethyl-1H-1,2,4-triazole-3,5-diyl)bis(1,2,5-oxadiazol-3-amine)
CID 1922516
1H-1,2,4-Triazole, 1-methyl-3,5-bis(4-nitro-3-furazanyl)-
CID 536882
1,3,4-Triazole, 3-methyl-2,5-bis(4-azidofurazan-5-yl)-
CID 539927
4-(1h-1,2,4-Triazol-3-yl)-1,2,5-oxadiazol-3-amine
CID 565277
4-(5-Methyl-1,2,4-triazol-3-yl)furazan-3-amine
CID 58778287
1,2,4-Triazole, 3,5-di(4-amino-3-furazanyl)-1-methyl-
CID 595628
4-[5-(4-Amino-1,2,5-oxadiazol-3-yl)-4-methyl-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine
CID 403296
4,4'-(1-butyl-1H-1,2,4-triazole-3,5-diyl)bis(1,2,5-oxadiazol-3-amine)
CID 1907101
Water 3-amino-4-(1,2,4-triazol-3-yl)furazan
CID 129748083
ethyl {2-[5-(4-aminofurazan-3-yl)-1-methyl-1H-1,2,4-tri-azol-3-yl]}acetate
CID 135398196

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (CID 62805912) is 4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is CCc1nc(-c2nonc2N)n(C)n1.
What is the InChIKey of 4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is XMLAQMLYSFNGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O/c1-3-4-9-7(13(2)10-4)5-6(8)12-14-11-5/h3H2,1-2H3,(H2,8,12).
What are the key properties of 4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 194.20 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 62805912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).