3-ethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C19H21FN4O — CID 86772927

IUPAC3-ethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCCc1nnc2n1CC(NCc1ccc(-c3ccccc3F)o1)CC2
InChIInChI=1S/C19H21FN4O/c1-2-18-22-23-19-10-7-13(12-24(18)19)21-11-14-8-9-17(25-14)15-5-3-4-6-16(15)20/h3-6,8-9,13,21H,2,7,10-12H2,1H3
InChIKeyPLKZFDMLTQPXEE-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.34
Rot. Bonds5

About 3-ethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine

3-ethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 86772927) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-ethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-ethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID86772927
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name3-ethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCCc1nnc2n1CC(NCc1ccc(-c3ccccc3F)o1)CC2
InChIInChI=1S/C19H21FN4O/c1-2-18-22-23-19-10-7-13(12-24(18)19)21-11-14-8-9-17(25-14)15-5-3-4-6-16(15)20/h3-6,8-9,13,21H,2,7,10-12H2,1H3
InChIKeyPLKZFDMLTQPXEE-UHFFFAOYSA-N
XLogP3.34
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-ethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 86772927) is 3-ethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-ethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-ethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine is CCc1nnc2n1CC(NCc1ccc(-c3ccccc3F)o1)CC2.
What is the InChIKey of 3-ethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is PLKZFDMLTQPXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-2-18-22-23-19-10-7-13(12-24(18)19)21-11-14-8-9-17(25-14)15-5-3-4-6-16(15)20/h3-6,8-9,13,21H,2,7,10-12H2,1H3.
What are the key properties of 3-ethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-ethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 340.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 86772927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).