N-benzyl-3-[5-[(3-fluoro-4-hydroxyphenyl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide

C22H24FN5O2 — CID 91909759

IUPACN-benzyl-3-[5-[(3-fluoro-4-hydroxyphenyl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide
SMILESO=C(CCc1nnn2c1CN(Cc1ccc(O)c(F)c1)CC2)NCc1ccccc1
InChIInChI=1S/C22H24FN5O2/c23-18-12-17(6-8-21(18)29)14-27-10-11-28-20(15-27)19(25-26-28)7-9-22(30)24-13-16-4-2-1-3-5-16/h1-6,8,12,29H,7,9-11,13-15H2,(H,24,30)
InChIKeyAOKDGSHUCLXJCT-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.39
Rot. Bonds7

About N-benzyl-3-[5-[(3-fluoro-4-hydroxyphenyl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide

N-benzyl-3-[5-[(3-fluoro-4-hydroxyphenyl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide (PubChem CID 91909759) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is N-benzyl-3-[5-[(3-fluoro-4-hydroxyphenyl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[5-[(3-fluoro-4-hydroxyphenyl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide
PubChem CID91909759
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC NameN-benzyl-3-[5-[(3-fluoro-4-hydroxyphenyl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide
SMILESO=C(CCc1nnn2c1CN(Cc1ccc(O)c(F)c1)CC2)NCc1ccccc1
InChIInChI=1S/C22H24FN5O2/c23-18-12-17(6-8-21(18)29)14-27-10-11-28-20(15-27)19(25-26-28)7-9-22(30)24-13-16-4-2-1-3-5-16/h1-6,8,12,29H,7,9-11,13-15H2,(H,24,30)
InChIKeyAOKDGSHUCLXJCT-UHFFFAOYSA-N
XLogP2.39
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[5-[(3-fluoro-4-hydroxyphenyl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide?
The IUPAC name of N-benzyl-3-[5-[(3-fluoro-4-hydroxyphenyl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide (CID 91909759) is N-benzyl-3-[5-[(3-fluoro-4-hydroxyphenyl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide.
What is the SMILES notation for N-benzyl-3-[5-[(3-fluoro-4-hydroxyphenyl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide?
The canonical SMILES for N-benzyl-3-[5-[(3-fluoro-4-hydroxyphenyl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide is O=C(CCc1nnn2c1CN(Cc1ccc(O)c(F)c1)CC2)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[5-[(3-fluoro-4-hydroxyphenyl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide?
The InChIKey is AOKDGSHUCLXJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c23-18-12-17(6-8-21(18)29)14-27-10-11-28-20(15-27)19(25-26-28)7-9-22(30)24-13-16-4-2-1-3-5-16/h1-6,8,12,29H,7,9-11,13-15H2,(H,24,30).
What are the key properties of N-benzyl-3-[5-[(3-fluoro-4-hydroxyphenyl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide?
N-benzyl-3-[5-[(3-fluoro-4-hydroxyphenyl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide has a molecular weight of 409.47 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[5-[(3-fluoro-4-hydroxyphenyl)methyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]propanamide is sourced from PubChem (CID 91909759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).