CID 176676876

C8H12N3OSn — CID 176676876

IUPAC—
SMILESCNC(=O)c1cc([Sn](C)C)ncn1
InChIInChI=1S/C6H6N3O.2CH3.Sn/c1-7-6(10)5-2-3-8-4-9-5;;;/h2,4H,1H3,(H,7,10);2*1H3;
InChIKeyYROQKSIPNWECSP-UHFFFAOYSA-N
MW284.92 g/mol
LogP-0.20
Rot. Bonds2

About CID 176676876

CID 176676876 (PubChem CID 176676876) has the molecular formula C8H12N3OSn and a molecular weight of 284.92 g/mol.

Molecular Properties

Compound NameCID 176676876
PubChem CID176676876
Molecular FormulaC8H12N3OSn
Molecular Weight284.92 g/mol
Exact Mass286.00
IUPAC Name—
SMILESCNC(=O)c1cc([Sn](C)C)ncn1
InChIInChI=1S/C6H6N3O.2CH3.Sn/c1-7-6(10)5-2-3-8-4-9-5;;;/h2,4H,1H3,(H,7,10);2*1H3;
InChIKeyYROQKSIPNWECSP-UHFFFAOYSA-N
XLogP-0.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.92
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze CID 176676876 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 176676876?
The IUPAC name of CID 176676876 (CID 176676876) is not available.
What is the SMILES notation for CID 176676876?
The canonical SMILES for CID 176676876 is CNC(=O)c1cc([Sn](C)C)ncn1.
What is the InChIKey of CID 176676876?
The InChIKey is YROQKSIPNWECSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N3O.2CH3.Sn/c1-7-6(10)5-2-3-8-4-9-5;;;/h2,4H,1H3,(H,7,10);2*1H3;.
What are the key properties of CID 176676876?
CID 176676876 has a molecular weight of 284.92 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176676876 is sourced from PubChem (CID 176676876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).