CID 177128854

C13H15GeN3+2 — CID 177128854

IUPAC—
SMILESC[n+]1ccccc1N1C[Ge]c2ccc[n+](C)c21
InChIInChI=1S/C13H15GeN3/c1-15-8-4-3-7-12(15)17-10-14-11-6-5-9-16(2)13(11)17/h3-9H,10H2,1-2H3/q+2
InChIKeyHNFPMFVCTJLPKY-UHFFFAOYSA-N
MW285.89 g/mol
LogP-0.23
Rot. Bonds1

About CID 177128854

CID 177128854 (PubChem CID 177128854) has the molecular formula C13H15GeN3+2 and a molecular weight of 285.89 g/mol.

Molecular Properties

Compound NameCID 177128854
PubChem CID177128854
Molecular FormulaC13H15GeN3+2
Molecular Weight285.89 g/mol
Exact Mass287.05
IUPAC Name—
SMILESC[n+]1ccccc1N1C[Ge]c2ccc[n+](C)c21
InChIInChI=1S/C13H15GeN3/c1-15-8-4-3-7-12(15)17-10-14-11-6-5-9-16(2)13(11)17/h3-9H,10H2,1-2H3/q+2
InChIKeyHNFPMFVCTJLPKY-UHFFFAOYSA-N
XLogP-0.23
TPSA11.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.89
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 177128854?
The IUPAC name of CID 177128854 (CID 177128854) is not available.
What is the SMILES notation for CID 177128854?
The canonical SMILES for CID 177128854 is C[n+]1ccccc1N1C[Ge]c2ccc[n+](C)c21.
What is the InChIKey of CID 177128854?
The InChIKey is HNFPMFVCTJLPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15GeN3/c1-15-8-4-3-7-12(15)17-10-14-11-6-5-9-16(2)13(11)17/h3-9H,10H2,1-2H3/q+2.
What are the key properties of CID 177128854?
CID 177128854 has a molecular weight of 285.89 g/mol, XLogP of -0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177128854 is sourced from PubChem (CID 177128854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).