5-amino-3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one

C7H8F3N3O — CID 105459818

IUPAC5-amino-3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESNCc1cc(N)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)5-4(12)1-3(2-11)6(14)13-5/h1H,2,11-12H2,(H,13,14)
InChIKeySMIPPPZZQKFNMS-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.43
Rot. Bonds1

About 5-amino-3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one

5-amino-3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 105459818) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 5-amino-3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID105459818
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name5-amino-3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESNCc1cc(N)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)5-4(12)1-3(2-11)6(14)13-5/h1H,2,11-12H2,(H,13,14)
InChIKeySMIPPPZZQKFNMS-UHFFFAOYSA-N
XLogP0.43
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-amino-3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 105459818) is 5-amino-3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-amino-3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-amino-3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one is NCc1cc(N)c(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 5-amino-3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is SMIPPPZZQKFNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c8-7(9,10)5-4(12)1-3(2-11)6(14)13-5/h1H,2,11-12H2,(H,13,14).
What are the key properties of 5-amino-3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
5-amino-3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 207.16 g/mol, XLogP of 0.43, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 105459818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).