CID 89088027

C10H14BN3O — CID 89088027

IUPAC—
SMILES[B]c1cnc(N)c(C(=O)N(CC)CC)c1
InChIInChI=1S/C10H14BN3O/c1-3-14(4-2)10(15)8-5-7(11)6-13-9(8)12/h5-6H,3-4H2,1-2H3,(H2,12,13)
InChIKeyADJNDFATQQZECV-UHFFFAOYSA-N
MW203.05 g/mol
LogP-0.06
Rot. Bonds3

About CID 89088027

CID 89088027 (PubChem CID 89088027) has the molecular formula C10H14BN3O and a molecular weight of 203.05 g/mol.

Molecular Properties

Compound NameCID 89088027
PubChem CID89088027
Molecular FormulaC10H14BN3O
Molecular Weight203.05 g/mol
Exact Mass203.12
IUPAC Name—
SMILES[B]c1cnc(N)c(C(=O)N(CC)CC)c1
InChIInChI=1S/C10H14BN3O/c1-3-14(4-2)10(15)8-5-7(11)6-13-9(8)12/h5-6H,3-4H2,1-2H3,(H2,12,13)
InChIKeyADJNDFATQQZECV-UHFFFAOYSA-N
XLogP-0.06
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.05
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 89088027?
The IUPAC name of CID 89088027 (CID 89088027) is not available.
What is the SMILES notation for CID 89088027?
The canonical SMILES for CID 89088027 is [B]c1cnc(N)c(C(=O)N(CC)CC)c1.
What is the InChIKey of CID 89088027?
The InChIKey is ADJNDFATQQZECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BN3O/c1-3-14(4-2)10(15)8-5-7(11)6-13-9(8)12/h5-6H,3-4H2,1-2H3,(H2,12,13).
What are the key properties of CID 89088027?
CID 89088027 has a molecular weight of 203.05 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89088027 is sourced from PubChem (CID 89088027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).