CID 58883666

C6H7N3Y-2 — CID 58883666

IUPAC—
SMILESC/[C-]=C(\C)n1[c-]nnc1.[Y]
InChIInChI=1S/C6H7N3.Y/c1-3-6(2)9-4-7-8-5-9;/h4H,1-2H3;/q-2;
InChIKeyYZBVYKOFTTXBEY-UHFFFAOYSA-N
MW210.05 g/mol
LogP0.76
Rot. Bonds1

About CID 58883666

CID 58883666 (PubChem CID 58883666) has the molecular formula C6H7N3Y-2 and a molecular weight of 210.05 g/mol.

Molecular Properties

Compound NameCID 58883666
PubChem CID58883666
Molecular FormulaC6H7N3Y-2
Molecular Weight210.05 g/mol
Exact Mass209.97
IUPAC Name—
SMILESC/[C-]=C(\C)n1[c-]nnc1.[Y]
InChIInChI=1S/C6H7N3.Y/c1-3-6(2)9-4-7-8-5-9;/h4H,1-2H3;/q-2;
InChIKeyYZBVYKOFTTXBEY-UHFFFAOYSA-N
XLogP0.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.05
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 58883666?
The IUPAC name of CID 58883666 (CID 58883666) is not available.
What is the SMILES notation for CID 58883666?
The canonical SMILES for CID 58883666 is C/[C-]=C(\C)n1[c-]nnc1.[Y].
What is the InChIKey of CID 58883666?
The InChIKey is YZBVYKOFTTXBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3.Y/c1-3-6(2)9-4-7-8-5-9;/h4H,1-2H3;/q-2;.
What are the key properties of CID 58883666?
CID 58883666 has a molecular weight of 210.05 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58883666 is sourced from PubChem (CID 58883666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).