CID 59369587

C10H10F3N3O — CID 59369587

IUPAC—
SMILES[CH]c1cncc(C(=O)N(CC)CC(F)(F)F)n1
InChIInChI=1S/C10H10F3N3O/c1-3-16(6-10(11,12)13)9(17)8-5-14-4-7(2)15-8/h2,4-5H,3,6H2,1H3
InChIKeyHUNAIKJNZVNLTO-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.56
Rot. Bonds3

About CID 59369587

CID 59369587 (PubChem CID 59369587) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol.

Molecular Properties

Compound NameCID 59369587
PubChem CID59369587
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name—
SMILES[CH]c1cncc(C(=O)N(CC)CC(F)(F)F)n1
InChIInChI=1S/C10H10F3N3O/c1-3-16(6-10(11,12)13)9(17)8-5-14-4-7(2)15-8/h2,4-5H,3,6H2,1H3
InChIKeyHUNAIKJNZVNLTO-UHFFFAOYSA-N
XLogP1.56
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59369587?
The IUPAC name of CID 59369587 (CID 59369587) is not available.
What is the SMILES notation for CID 59369587?
The canonical SMILES for CID 59369587 is [CH]c1cncc(C(=O)N(CC)CC(F)(F)F)n1.
What is the InChIKey of CID 59369587?
The InChIKey is HUNAIKJNZVNLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c1-3-16(6-10(11,12)13)9(17)8-5-14-4-7(2)15-8/h2,4-5H,3,6H2,1H3.
What are the key properties of CID 59369587?
CID 59369587 has a molecular weight of 245.20 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59369587 is sourced from PubChem (CID 59369587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).