CID 101167207

C13H19N3O+ — CID 101167207

IUPAC—
SMILESC[n+]1cccc(C2=NC(C)(C)C(C)(C)N2[O])c1
InChIInChI=1S/C13H19N3O/c1-12(2)13(3,4)16(17)11(14-12)10-7-6-8-15(5)9-10/h6-9H,1-5H3/q+1
InChIKeyMPLXLVIAJHZDQT-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.48
Rot. Bonds1

About CID 101167207

CID 101167207 (PubChem CID 101167207) has the molecular formula C13H19N3O+ and a molecular weight of 233.31 g/mol.

Molecular Properties

Compound NameCID 101167207
PubChem CID101167207
Molecular FormulaC13H19N3O+
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name—
SMILESC[n+]1cccc(C2=NC(C)(C)C(C)(C)N2[O])c1
InChIInChI=1S/C13H19N3O/c1-12(2)13(3,4)16(17)11(14-12)10-7-6-8-15(5)9-10/h6-9H,1-5H3/q+1
InChIKeyMPLXLVIAJHZDQT-UHFFFAOYSA-N
XLogP1.48
TPSA39.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 101167207?
The IUPAC name of CID 101167207 (CID 101167207) is not available.
What is the SMILES notation for CID 101167207?
The canonical SMILES for CID 101167207 is C[n+]1cccc(C2=NC(C)(C)C(C)(C)N2[O])c1.
What is the InChIKey of CID 101167207?
The InChIKey is MPLXLVIAJHZDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-12(2)13(3,4)16(17)11(14-12)10-7-6-8-15(5)9-10/h6-9H,1-5H3/q+1.
What are the key properties of CID 101167207?
CID 101167207 has a molecular weight of 233.31 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101167207 is sourced from PubChem (CID 101167207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).