CID 177431788

C9H7N6Te — CID 177431788

IUPAC—
SMILES[Te]/C(=N/c1ncccn1)Nc1ncccn1
InChIInChI=1S/C9H7N6Te/c16-9(14-7-10-3-1-4-11-7)15-8-12-5-2-6-13-8/h1-6H,(H,10,11,12,13,14,15)
InChIKeyJNLRCBIMPYJMMB-UHFFFAOYSA-N
MW326.80 g/mol
LogP0.53
Rot. Bonds2

About CID 177431788

CID 177431788 (PubChem CID 177431788) has the molecular formula C9H7N6Te and a molecular weight of 326.80 g/mol.

Molecular Properties

Compound NameCID 177431788
PubChem CID177431788
Molecular FormulaC9H7N6Te
Molecular Weight326.80 g/mol
Exact Mass328.98
IUPAC Name—
SMILES[Te]/C(=N/c1ncccn1)Nc1ncccn1
InChIInChI=1S/C9H7N6Te/c16-9(14-7-10-3-1-4-11-7)15-8-12-5-2-6-13-8/h1-6H,(H,10,11,12,13,14,15)
InChIKeyJNLRCBIMPYJMMB-UHFFFAOYSA-N
XLogP0.53
TPSA75.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 177431788?
The IUPAC name of CID 177431788 (CID 177431788) is not available.
What is the SMILES notation for CID 177431788?
The canonical SMILES for CID 177431788 is [Te]/C(=N/c1ncccn1)Nc1ncccn1.
What is the InChIKey of CID 177431788?
The InChIKey is JNLRCBIMPYJMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N6Te/c16-9(14-7-10-3-1-4-11-7)15-8-12-5-2-6-13-8/h1-6H,(H,10,11,12,13,14,15).
What are the key properties of CID 177431788?
CID 177431788 has a molecular weight of 326.80 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177431788 is sourced from PubChem (CID 177431788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).