4-(7H-purin-1-ium-8-yl)-1,2,5-oxadiazol-3-amine

C7H6N7O+ — CID 136593743

IUPAC4-(7H-purin-1-ium-8-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2nc[nH+]cc2[nH]1
InChIInChI=1S/C7H5N7O/c8-5-4(13-15-14-5)7-11-3-1-9-2-10-6(3)12-7/h1-2H,(H2,8,14)(H,9,10,11,12)/p+1
InChIKeyUNWLZDGLQLDCGI-UHFFFAOYSA-O
MW204.17 g/mol
LogP-0.60
Rot. Bonds1

About 4-(7H-purin-1-ium-8-yl)-1,2,5-oxadiazol-3-amine

4-(7H-purin-1-ium-8-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 136593743) has the molecular formula C7H6N7O+ and a molecular weight of 204.17 g/mol. Its IUPAC name is 4-(7H-purin-1-ium-8-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(7H-purin-1-ium-8-yl)-1,2,5-oxadiazol-3-amine
PubChem CID136593743
Molecular FormulaC7H6N7O+
Molecular Weight204.17 g/mol
Exact Mass204.06
IUPAC Name4-(7H-purin-1-ium-8-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2nc[nH+]cc2[nH]1
InChIInChI=1S/C7H5N7O/c8-5-4(13-15-14-5)7-11-3-1-9-2-10-6(3)12-7/h1-2H,(H2,8,14)(H,9,10,11,12)/p+1
InChIKeyUNWLZDGLQLDCGI-UHFFFAOYSA-O
XLogP-0.60
TPSA120.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.17
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 135493220
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 135486035
4-(1H-benzo[f]benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 136934863
4-[6-(2-bromoethyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 136599066
2-(7H-purin-1-ium-8-yl)propanenitrile
CID 123220755
4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine;4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 159906434
7H-purin-1-ium cyanide
CID 172712540
2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-6-ethyl-1H-imidazo[4,5-c]pyridin-7-ol
CID 136646092
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
4-(5-chloro-1H-indol-6-yl)-1,2,5-oxadiazol-3-amine
CID 96596110
4-quinolin-2-yl-1,2,5-oxadiazol-3-amine
CID 12536668
5-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine
CID 63259845

Frequently Asked Questions

What is the IUPAC name of 4-(7H-purin-1-ium-8-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(7H-purin-1-ium-8-yl)-1,2,5-oxadiazol-3-amine (CID 136593743) is 4-(7H-purin-1-ium-8-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(7H-purin-1-ium-8-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(7H-purin-1-ium-8-yl)-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc2nc[nH+]cc2[nH]1.
What is the InChIKey of 4-(7H-purin-1-ium-8-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is UNWLZDGLQLDCGI-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H5N7O/c8-5-4(13-15-14-5)7-11-3-1-9-2-10-6(3)12-7/h1-2H,(H2,8,14)(H,9,10,11,12)/p+1.
What are the key properties of 4-(7H-purin-1-ium-8-yl)-1,2,5-oxadiazol-3-amine?
4-(7H-purin-1-ium-8-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 204.17 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7H-purin-1-ium-8-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 136593743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).