(6E,7R)-7-amino-6-hydroxyimino-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C5H6N6O2 — CID 137048080

IUPAC(6E,7R)-7-amino-6-hydroxyimino-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESN[C@H]1/C(=N\O)C(=O)Nc2ncnn21
InChIInChI=1S/C5H6N6O2/c6-3-2(10-13)4(12)9-5-7-1-8-11(3)5/h1,3,13H,6H2,(H,7,8,9,12)/b10-2+/t3-/m1/s1
InChIKeyFOASGPXDLWFKEG-NSSOCOSKSA-N
MW182.14 g/mol
LogP-1.48
Rot. Bonds

About (6E,7R)-7-amino-6-hydroxyimino-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

(6E,7R)-7-amino-6-hydroxyimino-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 137048080) has the molecular formula C5H6N6O2 and a molecular weight of 182.14 g/mol. Its IUPAC name is (6E,7R)-7-amino-6-hydroxyimino-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name(6E,7R)-7-amino-6-hydroxyimino-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID137048080
Molecular FormulaC5H6N6O2
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC Name(6E,7R)-7-amino-6-hydroxyimino-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESN[C@H]1/C(=N\O)C(=O)Nc2ncnn21
InChIInChI=1S/C5H6N6O2/c6-3-2(10-13)4(12)9-5-7-1-8-11(3)5/h1,3,13H,6H2,(H,7,8,9,12)/b10-2+/t3-/m1/s1
InChIKeyFOASGPXDLWFKEG-NSSOCOSKSA-N
XLogP-1.48
TPSA118.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E,7R)-7-amino-6-hydroxyimino-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of (6E,7R)-7-amino-6-hydroxyimino-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 137048080) is (6E,7R)-7-amino-6-hydroxyimino-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for (6E,7R)-7-amino-6-hydroxyimino-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for (6E,7R)-7-amino-6-hydroxyimino-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is N[C@H]1/C(=N\O)C(=O)Nc2ncnn21.
What is the InChIKey of (6E,7R)-7-amino-6-hydroxyimino-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is FOASGPXDLWFKEG-NSSOCOSKSA-N. The full InChI is InChI=1S/C5H6N6O2/c6-3-2(10-13)4(12)9-5-7-1-8-11(3)5/h1,3,13H,6H2,(H,7,8,9,12)/b10-2+/t3-/m1/s1.
What are the key properties of (6E,7R)-7-amino-6-hydroxyimino-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
(6E,7R)-7-amino-6-hydroxyimino-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 182.14 g/mol, XLogP of -1.48, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,7R)-7-amino-6-hydroxyimino-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137048080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).