About CID 59694860
CID 59694860 (PubChem CID 59694860) has the molecular formula C9H13N3
and a molecular weight of 163.22 g/mol.
Molecular Properties
| Compound Name | CID 59694860 |
|---|
| PubChem CID | 59694860 |
|---|
| Molecular Formula | C9H13N3 |
|---|
| Molecular Weight | 163.22 g/mol |
|---|
| Exact Mass | 163.11 |
|---|
| IUPAC Name | — |
|---|
| SMILES | [CH]C1CCN(Cc2cnc[nH]2)C1 |
|---|
| InChI | InChI=1S/C9H13N3/c1-8-2-3-12(5-8)6-9-4-10-7-11-9/h1,4,7-8H,2-3,5-6H2,(H,10,11) |
|---|
| InChIKey | JKBUFCDHRUVTCB-UHFFFAOYSA-N |
|---|
| XLogP | 0.94 |
|---|
| TPSA | 31.92 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | 2 |
|---|
| Heavy Atoms | 12 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 163.22 |
| LogP ≤ 5 | 0.94 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Analyze CID 59694860 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 59694860?
The IUPAC name of CID 59694860 (CID 59694860) is not available.
What is the SMILES notation for CID 59694860?
The canonical SMILES for CID 59694860 is [CH]C1CCN(Cc2cnc[nH]2)C1.
What is the InChIKey of CID 59694860?
The InChIKey is JKBUFCDHRUVTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-8-2-3-12(5-8)6-9-4-10-7-11-9/h1,4,7-8H,2-3,5-6H2,(H,10,11).
What are the key properties of CID 59694860?
CID 59694860 has a molecular weight of 163.22 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59694860 is sourced from PubChem (CID 59694860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).