(NZ)-N-(1-hydroxy-7H-purin-6-ylidene)nitrous amide

C5H4N6O2 — CID 135488844

IUPAC(NZ)-N-(1-hydroxy-7H-purin-6-ylidene)nitrous amide
SMILESO=N/N=c1/c2[nH]cnc2ncn1O
InChIInChI=1S/C5H4N6O2/c12-10-9-5-3-4(7-1-6-3)8-2-11(5)13/h1-2,13H,(H,6,7)/b9-5-
InChIKeyKCPFOFHBSUIPPU-UITAMQMPSA-N
MW180.13 g/mol
LogP-0.42
Rot. Bonds1

About (NZ)-N-(1-hydroxy-7H-purin-6-ylidene)nitrous amide

(NZ)-N-(1-hydroxy-7H-purin-6-ylidene)nitrous amide (PubChem CID 135488844) has the molecular formula C5H4N6O2 and a molecular weight of 180.13 g/mol. Its IUPAC name is (NZ)-N-(1-hydroxy-7H-purin-6-ylidene)nitrous amide.

Molecular Properties

Compound Name(NZ)-N-(1-hydroxy-7H-purin-6-ylidene)nitrous amide
PubChem CID135488844
Molecular FormulaC5H4N6O2
Molecular Weight180.13 g/mol
Exact Mass180.04
IUPAC Name(NZ)-N-(1-hydroxy-7H-purin-6-ylidene)nitrous amide
SMILESO=N/N=c1/c2[nH]cnc2ncn1O
InChIInChI=1S/C5H4N6O2/c12-10-9-5-3-4(7-1-6-3)8-2-11(5)13/h1-2,13H,(H,6,7)/b9-5-
InChIKeyKCPFOFHBSUIPPU-UITAMQMPSA-N
XLogP-0.42
TPSA108.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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 (NZ)-N-(1-hydroxy-7H-purin-6-ylidene)nitrous amide?
The IUPAC name of (NZ)-N-(1-hydroxy-7H-purin-6-ylidene)nitrous amide (CID 135488844) is (NZ)-N-(1-hydroxy-7H-purin-6-ylidene)nitrous amide.
What is the SMILES notation for (NZ)-N-(1-hydroxy-7H-purin-6-ylidene)nitrous amide?
The canonical SMILES for (NZ)-N-(1-hydroxy-7H-purin-6-ylidene)nitrous amide is O=N/N=c1/c2[nH]cnc2ncn1O.
What is the InChIKey of (NZ)-N-(1-hydroxy-7H-purin-6-ylidene)nitrous amide?
The InChIKey is KCPFOFHBSUIPPU-UITAMQMPSA-N. The full InChI is InChI=1S/C5H4N6O2/c12-10-9-5-3-4(7-1-6-3)8-2-11(5)13/h1-2,13H,(H,6,7)/b9-5-.
What are the key properties of (NZ)-N-(1-hydroxy-7H-purin-6-ylidene)nitrous amide?
(NZ)-N-(1-hydroxy-7H-purin-6-ylidene)nitrous amide has a molecular weight of 180.13 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1-hydroxy-7H-purin-6-ylidene)nitrous amide is sourced from PubChem (CID 135488844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).