CID 174773420

C14H17N3OSi+ — CID 174773420

IUPAC—
SMILESCc1ccc(/N=C/c2cnccn2)c(O[Si](C)C)c1.[H+]
InChIInChI=1S/C14H16N3OSi/c1-11-4-5-13(14(8-11)18-19(2)3)17-10-12-9-15-6-7-16-12/h4-10H,1-3H3/p+1/b17-10+
InChIKeyWVRJAVBJRJJCGB-LICLKQGHSA-O
MW271.40 g/mol
LogP3.28
Rot. Bonds4

About CID 174773420

CID 174773420 (PubChem CID 174773420) has the molecular formula C14H17N3OSi+ and a molecular weight of 271.40 g/mol.

Molecular Properties

Compound NameCID 174773420
PubChem CID174773420
Molecular FormulaC14H17N3OSi+
Molecular Weight271.40 g/mol
Exact Mass271.11
IUPAC Name—
SMILESCc1ccc(/N=C/c2cnccn2)c(O[Si](C)C)c1.[H+]
InChIInChI=1S/C14H16N3OSi/c1-11-4-5-13(14(8-11)18-19(2)3)17-10-12-9-15-6-7-16-12/h4-10H,1-3H3/p+1/b17-10+
InChIKeyWVRJAVBJRJJCGB-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 174773420?
The IUPAC name of CID 174773420 (CID 174773420) is not available.
What is the SMILES notation for CID 174773420?
The canonical SMILES for CID 174773420 is Cc1ccc(/N=C/c2cnccn2)c(O[Si](C)C)c1.[H+].
What is the InChIKey of CID 174773420?
The InChIKey is WVRJAVBJRJJCGB-LICLKQGHSA-O. The full InChI is InChI=1S/C14H16N3OSi/c1-11-4-5-13(14(8-11)18-19(2)3)17-10-12-9-15-6-7-16-12/h4-10H,1-3H3/p+1/b17-10+.
What are the key properties of CID 174773420?
CID 174773420 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 174773420 is sourced from PubChem (CID 174773420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).