CID 21470878

C12H16N3Si — CID 21470878

IUPAC—
SMILES[H]/N=C1\N=C(N)c2ccc([Si](CC)CC)cc21
InChIInChI=1S/C12H16N3Si/c1-3-16(4-2)8-5-6-9-10(7-8)12(14)15-11(9)13/h5-7H,3-4H2,1-2H3,(H3,13,14,15)
InChIKeyORKRLRGBCPZUIY-UHFFFAOYSA-N
MW230.37 g/mol
LogP1.47
Rot. Bonds3

About CID 21470878

CID 21470878 (PubChem CID 21470878) has the molecular formula C12H16N3Si and a molecular weight of 230.37 g/mol.

Molecular Properties

Compound NameCID 21470878
PubChem CID21470878
Molecular FormulaC12H16N3Si
Molecular Weight230.37 g/mol
Exact Mass230.11
IUPAC Name—
SMILES[H]/N=C1\N=C(N)c2ccc([Si](CC)CC)cc21
InChIInChI=1S/C12H16N3Si/c1-3-16(4-2)8-5-6-9-10(7-8)12(14)15-11(9)13/h5-7H,3-4H2,1-2H3,(H3,13,14,15)
InChIKeyORKRLRGBCPZUIY-UHFFFAOYSA-N
XLogP1.47
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 21470878?
The IUPAC name of CID 21470878 (CID 21470878) is not available.
What is the SMILES notation for CID 21470878?
The canonical SMILES for CID 21470878 is [H]/N=C1\N=C(N)c2ccc([Si](CC)CC)cc21.
What is the InChIKey of CID 21470878?
The InChIKey is ORKRLRGBCPZUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N3Si/c1-3-16(4-2)8-5-6-9-10(7-8)12(14)15-11(9)13/h5-7H,3-4H2,1-2H3,(H3,13,14,15).
What are the key properties of CID 21470878?
CID 21470878 has a molecular weight of 230.37 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21470878 is sourced from PubChem (CID 21470878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).