CID 90900487

C5H8N3O+ — CID 90900487

IUPAC—
SMILESCOC(C)[C+]1C=NN=N1
InChIInChI=1S/C5H8N3O/c1-4(9-2)5-3-6-8-7-5/h3-4H,1-2H3/q+1
InChIKeyZKLSVPJFEXBVFW-UHFFFAOYSA-N
MW126.14 g/mol
LogP1.00
Rot. Bonds2

About CID 90900487

CID 90900487 (PubChem CID 90900487) has the molecular formula C5H8N3O+ and a molecular weight of 126.14 g/mol.

Molecular Properties

Compound NameCID 90900487
PubChem CID90900487
Molecular FormulaC5H8N3O+
Molecular Weight126.14 g/mol
Exact Mass126.07
IUPAC Name—
SMILESCOC(C)[C+]1C=NN=N1
InChIInChI=1S/C5H8N3O/c1-4(9-2)5-3-6-8-7-5/h3-4H,1-2H3/q+1
InChIKeyZKLSVPJFEXBVFW-UHFFFAOYSA-N
XLogP1.00
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.14
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 90900487?
The IUPAC name of CID 90900487 (CID 90900487) is not available.
What is the SMILES notation for CID 90900487?
The canonical SMILES for CID 90900487 is COC(C)[C+]1C=NN=N1.
What is the InChIKey of CID 90900487?
The InChIKey is ZKLSVPJFEXBVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N3O/c1-4(9-2)5-3-6-8-7-5/h3-4H,1-2H3/q+1.
What are the key properties of CID 90900487?
CID 90900487 has a molecular weight of 126.14 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90900487 is sourced from PubChem (CID 90900487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).