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

C7H7N9O2 — CID 606009

IUPAC4-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1Cc1nc(-c2nonc2N)n[nH]1
InChIInChI=1S/C7H7N9O2/c8-5-2(13-17-15-5)1-3-10-7(12-11-3)4-6(9)16-18-14-4/h1H2,(H2,8,15)(H2,9,16)(H,10,11,12)
InChIKeyNAFBHCZPPCGAQI-UHFFFAOYSA-N
MW249.19 g/mol
LogP-1.01
Rot. Bonds3

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

4-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1,2,5-oxadiazol-3-amine (PubChem CID 606009) has the molecular formula C7H7N9O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 4-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1,2,5-oxadiazol-3-amine
PubChem CID606009
Molecular FormulaC7H7N9O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name4-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1Cc1nc(-c2nonc2N)n[nH]1
InChIInChI=1S/C7H7N9O2/c8-5-2(13-17-15-5)1-3-10-7(12-11-3)4-6(9)16-18-14-4/h1H2,(H2,8,15)(H2,9,16)(H,10,11,12)
InChIKeyNAFBHCZPPCGAQI-UHFFFAOYSA-N
XLogP-1.01
TPSA171.45 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

4-[5-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine
CID 659720
1,2,5-Oxadiazol-3-amine, 4,4'-(1H-1,2,4-triazole-3,5-diyl)bis-
CID 616587
3-Nitro-4-[5-(4-nitro-1,2,5-oxadiazol-3-yl)-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazole
CID 542732
4-(5-Methyl-1,2,4-triazol-3-yl)furazan-3-amine
CID 58778287
3-Azido-4-[3-(4-azido-1,2,5-oxadiazol-3-yl)-1h-1,2,4-triazol-5-yl]-1,2,5-oxadiazole
CID 12142055
3,5-Bis(4-nitramino-1,2,5-oxadiazol-3-yl)-1,2,4-triazole
CID 129743798
3-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazole
CID 8027131
4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
CID 62807326
4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
CID 62807499
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
CID 62807500
bis[4-[5-(dinitromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl]diazene
CID 139174896
nitro-[4-[3-(4-nitroazanidyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]-1,2,5-oxadiazol-3-yl]azanide
CID 177479222

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1,2,5-oxadiazol-3-amine (CID 606009) is 4-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1,2,5-oxadiazol-3-amine is Nc1nonc1Cc1nc(-c2nonc2N)n[nH]1.
What is the InChIKey of 4-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1,2,5-oxadiazol-3-amine?
The InChIKey is NAFBHCZPPCGAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N9O2/c8-5-2(13-17-15-5)1-3-10-7(12-11-3)4-6(9)16-18-14-4/h1H2,(H2,8,15)(H2,9,16)(H,10,11,12).
What are the key properties of 4-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1,2,5-oxadiazol-3-amine?
4-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1,2,5-oxadiazol-3-amine has a molecular weight of 249.19 g/mol, XLogP of -1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 606009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).