CID 164812144

C14H19N5O — CID 164812144

IUPAC—
SMILESCC(C)N1[C]N(C(C)C)c2cc(OCN=[N+]=[N-])ccc21
InChIInChI=1S/C14H19N5O/c1-10(2)18-9-19(11(3)4)14-7-12(5-6-13(14)18)20-8-16-17-15/h5-7,10-11H,8H2,1-4H3
InChIKeyIBKIGINGYCTYGH-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.77
Rot. Bonds5

About CID 164812144

CID 164812144 (PubChem CID 164812144) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol.

Molecular Properties

Compound NameCID 164812144
PubChem CID164812144
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name—
SMILESCC(C)N1[C]N(C(C)C)c2cc(OCN=[N+]=[N-])ccc21
InChIInChI=1S/C14H19N5O/c1-10(2)18-9-19(11(3)4)14-7-12(5-6-13(14)18)20-8-16-17-15/h5-7,10-11H,8H2,1-4H3
InChIKeyIBKIGINGYCTYGH-UHFFFAOYSA-N
XLogP3.77
TPSA64.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 164812144?
The IUPAC name of CID 164812144 (CID 164812144) is not available.
What is the SMILES notation for CID 164812144?
The canonical SMILES for CID 164812144 is CC(C)N1[C]N(C(C)C)c2cc(OCN=[N+]=[N-])ccc21.
What is the InChIKey of CID 164812144?
The InChIKey is IBKIGINGYCTYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10(2)18-9-19(11(3)4)14-7-12(5-6-13(14)18)20-8-16-17-15/h5-7,10-11H,8H2,1-4H3.
What are the key properties of CID 164812144?
CID 164812144 has a molecular weight of 273.34 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164812144 is sourced from PubChem (CID 164812144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).