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

C5H6N6O — CID 58778276

IUPAC4-(2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESCn1ncnc1-c1nonc1N
InChIInChI=1S/C5H6N6O/c1-11-5(7-2-8-11)3-4(6)10-12-9-3/h2H,1H3,(H2,6,10)
InChIKeyYFTPVOXJHDQRQE-UHFFFAOYSA-N
MW166.14 g/mol
LogP-0.55
Rot. Bonds1

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

4-(2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 58778276) has the molecular formula C5H6N6O and a molecular weight of 166.14 g/mol. Its IUPAC name is 4-(2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
PubChem CID58778276
Molecular FormulaC5H6N6O
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Name4-(2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESCn1ncnc1-c1nonc1N
InChIInChI=1S/C5H6N6O/c1-11-5(7-2-8-11)3-4(6)10-12-9-3/h2H,1H3,(H2,6,10)
InChIKeyYFTPVOXJHDQRQE-UHFFFAOYSA-N
XLogP-0.55
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-0.55
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
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
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
5-(4-Amino-1,2,5-oxadiazol-3-yl)-1,2,4-triazole-3,4-diamine
CID 80491308
4-(1,2,4-Triazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide
CID 140518106
4-(4-Cyclohexyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
CID 55115232

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (CID 58778276) is 4-(2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is Cn1ncnc1-c1nonc1N.
What is the InChIKey of 4-(2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is YFTPVOXJHDQRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6O/c1-11-5(7-2-8-11)3-4(6)10-12-9-3/h2H,1H3,(H2,6,10).
What are the key properties of 4-(2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
4-(2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 166.14 g/mol, XLogP of -0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 58778276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).