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

C4H4N6O — CID 565277

IUPAC4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1ncn[nH]1
InChIInChI=1S/C4H4N6O/c5-3-2(9-11-10-3)4-6-1-7-8-4/h1H,(H2,5,10)(H,6,7,8)
InChIKeyVUQRPBPCOGZODJ-UHFFFAOYSA-N
MW152.12 g/mol
LogP-0.56
Rot. Bonds1

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

4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 565277) has the molecular formula C4H4N6O and a molecular weight of 152.12 g/mol. Its IUPAC name is 4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine
PubChem CID565277
Molecular FormulaC4H4N6O
Molecular Weight152.12 g/mol
Exact Mass152.04
IUPAC Name4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1ncn[nH]1
InChIInChI=1S/C4H4N6O/c5-3-2(9-11-10-3)4-6-1-7-8-4/h1H,(H2,5,10)(H,6,7,8)
InChIKeyVUQRPBPCOGZODJ-UHFFFAOYSA-N
XLogP-0.56
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Furazan, 3-(dimethylaminomethylenamino)-4-(1,2,4-triazol-3-yl)-
CID 557765
1,2,5-Oxadiazol-3-amine, 4,4'-(1H-1,2,4-triazole-3,5-diyl)bis-
CID 616587
5-(3-methyl-5-nitroimidazol-4-yl)-1H-1,2,4-triazol-3-amine
CID 171358723
3-Amino-4-(5-amino-1h-1,2,4-triazol-3-yl)-1,2,5-oxadiazole
CID 12007475
4-(5-Methyl-1,2,4-triazol-3-yl)furazan-3-amine
CID 58778287
4-nitro-5-(5-nitro-1H-1,2,4-triazol-3-yl)-2H-triazole
CID 141751488
4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine
CID 141429527
Water 3-amino-4-(1,2,4-triazol-3-yl)furazan
CID 129748083
(1,2,4-Triazol-3-yl)furazan
CID 129873290
4-(5-Amino-4h-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine hydrochloride
CID 139599831
[3-amino-5-(4-nitramido-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-4-ium-4-yl]-nitroazanide
CID 168338783
diaminomethylideneazanium;nitro-[3-(5-nitro-2H-triazol-4-yl)-1H-1,2,4-triazol-5-yl]azanide
CID 168339771

Frequently Asked Questions

What is the IUPAC name of 4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine (CID 565277) is 4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1ncn[nH]1.
What is the InChIKey of 4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is VUQRPBPCOGZODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N6O/c5-3-2(9-11-10-3)4-6-1-7-8-4/h1H,(H2,5,10)(H,6,7,8).
What are the key properties of 4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine?
4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 152.12 g/mol, XLogP of -0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 565277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).