4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,2,5-oxadiazol-3-amine

C7H5N7O — CID 79817903

IUPAC4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nnc2ccncn12
InChIInChI=1S/C7H5N7O/c8-6-5(12-15-13-6)7-11-10-4-1-2-9-3-14(4)7/h1-3H,(H2,8,13)
InChIKeyNKXKEYJNDZGUAL-UHFFFAOYSA-N
MW203.17 g/mol
LogP-0.24
Rot. Bonds1

About 4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,2,5-oxadiazol-3-amine

4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 79817903) has the molecular formula C7H5N7O and a molecular weight of 203.17 g/mol. Its IUPAC name is 4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,2,5-oxadiazol-3-amine
PubChem CID79817903
Molecular FormulaC7H5N7O
Molecular Weight203.17 g/mol
Exact Mass203.06
IUPAC Name4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nnc2ccncn12
InChIInChI=1S/C7H5N7O/c8-6-5(12-15-13-6)7-11-10-4-1-2-9-3-14(4)7/h1-3H,(H2,8,13)
InChIKeyNKXKEYJNDZGUAL-UHFFFAOYSA-N
XLogP-0.24
TPSA108.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,2,5-oxadiazol-3-amine with MolForge

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Related Compounds

3-fluoro-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
CID 79817899
5-fluoro-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
CID 79818016
2,4-difluoro-5-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
CID 79816625
3-fluoro-4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
CID 107795299
4-methyl-5-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,3-thiazol-2-amine
CID 79816810
2,4-dimethyl-6-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
CID 79817674
[4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,3-thiazol-2-yl]methanamine
CID 79817159
3-iodo-[1,2,4]triazolo[4,3-c]pyrimidine
CID 134334464
4-(4-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
CID 62808225
1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclobutan-1-amine
CID 79845154
1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclohexan-1-amine
CID 79816818
2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine
CID 79817570

Frequently Asked Questions

What is the IUPAC name of 4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,2,5-oxadiazol-3-amine (CID 79817903) is 4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nnc2ccncn12.
What is the InChIKey of 4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is NKXKEYJNDZGUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N7O/c8-6-5(12-15-13-6)7-11-10-4-1-2-9-3-14(4)7/h1-3H,(H2,8,13).
What are the key properties of 4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,2,5-oxadiazol-3-amine?
4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 203.17 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 79817903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).