N-benzyl-3-[5-[2-(4-fluorophenoxy)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide

C23H24FN5O3 — CID 91920504

IUPACN-benzyl-3-[5-[2-(4-fluorophenoxy)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide
SMILESO=C(CCc1nnn2c1CN(C(=O)COc1ccc(F)cc1)CC2)NCc1ccccc1
InChIInChI=1S/C23H24FN5O3/c24-18-6-8-19(9-7-18)32-16-23(31)28-12-13-29-21(15-28)20(26-27-29)10-11-22(30)25-14-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,25,30)
InChIKeyKLNVEVXUZXEDOT-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.09
Rot. Bonds8

About N-benzyl-3-[5-[2-(4-fluorophenoxy)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide

N-benzyl-3-[5-[2-(4-fluorophenoxy)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide (PubChem CID 91920504) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is N-benzyl-3-[5-[2-(4-fluorophenoxy)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[5-[2-(4-fluorophenoxy)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide
PubChem CID91920504
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC NameN-benzyl-3-[5-[2-(4-fluorophenoxy)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide
SMILESO=C(CCc1nnn2c1CN(C(=O)COc1ccc(F)cc1)CC2)NCc1ccccc1
InChIInChI=1S/C23H24FN5O3/c24-18-6-8-19(9-7-18)32-16-23(31)28-12-13-29-21(15-28)20(26-27-29)10-11-22(30)25-14-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,25,30)
InChIKeyKLNVEVXUZXEDOT-UHFFFAOYSA-N
XLogP2.09
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[5-[2-(4-fluorophenoxy)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide?
The IUPAC name of N-benzyl-3-[5-[2-(4-fluorophenoxy)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide (CID 91920504) is N-benzyl-3-[5-[2-(4-fluorophenoxy)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide.
What is the SMILES notation for N-benzyl-3-[5-[2-(4-fluorophenoxy)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide?
The canonical SMILES for N-benzyl-3-[5-[2-(4-fluorophenoxy)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide is O=C(CCc1nnn2c1CN(C(=O)COc1ccc(F)cc1)CC2)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[5-[2-(4-fluorophenoxy)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide?
The InChIKey is KLNVEVXUZXEDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c24-18-6-8-19(9-7-18)32-16-23(31)28-12-13-29-21(15-28)20(26-27-29)10-11-22(30)25-14-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,25,30).
What are the key properties of N-benzyl-3-[5-[2-(4-fluorophenoxy)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide?
N-benzyl-3-[5-[2-(4-fluorophenoxy)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide has a molecular weight of 437.48 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[5-[2-(4-fluorophenoxy)acetyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide is sourced from PubChem (CID 91920504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).