6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one

C10H14FN3O — CID 121199723

IUPAC6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one
SMILESNC1CCc2nn(CCF)c(=O)cc2C1
InChIInChI=1S/C10H14FN3O/c11-3-4-14-10(15)6-7-5-8(12)1-2-9(7)13-14/h6,8H,1-5,12H2
InChIKeyJCAWRCRYNHVIIU-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.03
Rot. Bonds2

About 6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one

6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 121199723) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID121199723
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one
SMILESNC1CCc2nn(CCF)c(=O)cc2C1
InChIInChI=1S/C10H14FN3O/c11-3-4-14-10(15)6-7-5-8(12)1-2-9(7)13-14/h6,8H,1-5,12H2
InChIKeyJCAWRCRYNHVIIU-UHFFFAOYSA-N
XLogP0.03
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one (CID 121199723) is 6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one is NC1CCc2nn(CCF)c(=O)cc2C1.
What is the InChIKey of 6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is JCAWRCRYNHVIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c11-3-4-14-10(15)6-7-5-8(12)1-2-9(7)13-14/h6,8H,1-5,12H2.
What are the key properties of 6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one?
6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 211.24 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 121199723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).