CID 174773143

C14H17N3OSi+ — CID 174773143

IUPAC—
SMILESCc1ccc(/N=C/c2ncccn2)c(O[Si](C)C)c1.[H+]
InChIInChI=1S/C14H16N3OSi/c1-11-5-6-12(13(9-11)18-19(2)3)17-10-14-15-7-4-8-16-14/h4-10H,1-3H3/p+1/b17-10+
InChIKeyZHOSQRKCMRZKJM-LICLKQGHSA-O
MW271.40 g/mol
LogP3.28
Rot. Bonds4

About CID 174773143

CID 174773143 (PubChem CID 174773143) has the molecular formula C14H17N3OSi+ and a molecular weight of 271.40 g/mol.

Molecular Properties

Compound NameCID 174773143
PubChem CID174773143
Molecular FormulaC14H17N3OSi+
Molecular Weight271.40 g/mol
Exact Mass271.11
IUPAC Name—
SMILESCc1ccc(/N=C/c2ncccn2)c(O[Si](C)C)c1.[H+]
InChIInChI=1S/C14H16N3OSi/c1-11-5-6-12(13(9-11)18-19(2)3)17-10-14-15-7-4-8-16-14/h4-10H,1-3H3/p+1/b17-10+
InChIKeyZHOSQRKCMRZKJM-LICLKQGHSA-O
XLogP3.28
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174773143?
The IUPAC name of CID 174773143 (CID 174773143) is not available.
What is the SMILES notation for CID 174773143?
The canonical SMILES for CID 174773143 is Cc1ccc(/N=C/c2ncccn2)c(O[Si](C)C)c1.[H+].
What is the InChIKey of CID 174773143?
The InChIKey is ZHOSQRKCMRZKJM-LICLKQGHSA-O. The full InChI is InChI=1S/C14H16N3OSi/c1-11-5-6-12(13(9-11)18-19(2)3)17-10-14-15-7-4-8-16-14/h4-10H,1-3H3/p+1/b17-10+.
What are the key properties of CID 174773143?
CID 174773143 has a molecular weight of 271.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174773143 is sourced from PubChem (CID 174773143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).