[1-hydroxy-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamic acid

C11H14F3N5O4 — CID 67531780

IUPAC[1-hydroxy-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamic acid
SMILESO=C(O)NC(CO)CC(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H14F3N5O4/c12-11(13,14)9-17-16-7-4-18(1-2-19(7)9)8(21)3-6(5-20)15-10(22)23/h6,15,20H,1-5H2,(H,22,23)
InChIKeyDCKXCANOTASBRO-UHFFFAOYSA-N
MW337.26 g/mol
LogP-0.34
Rot. Bonds4

About [1-hydroxy-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamic acid

[1-hydroxy-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamic acid (PubChem CID 67531780) has the molecular formula C11H14F3N5O4 and a molecular weight of 337.26 g/mol. Its IUPAC name is [1-hydroxy-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-hydroxy-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamic acid
PubChem CID67531780
Molecular FormulaC11H14F3N5O4
Molecular Weight337.26 g/mol
Exact Mass337.10
IUPAC Name[1-hydroxy-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamic acid
SMILESO=C(O)NC(CO)CC(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H14F3N5O4/c12-11(13,14)9-17-16-7-4-18(1-2-19(7)9)8(21)3-6(5-20)15-10(22)23/h6,15,20H,1-5H2,(H,22,23)
InChIKeyDCKXCANOTASBRO-UHFFFAOYSA-N
XLogP-0.34
TPSA120.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [1-hydroxy-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamic acid?
The IUPAC name of [1-hydroxy-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamic acid (CID 67531780) is [1-hydroxy-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamic acid.
What is the SMILES notation for [1-hydroxy-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamic acid?
The canonical SMILES for [1-hydroxy-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamic acid is O=C(O)NC(CO)CC(=O)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of [1-hydroxy-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamic acid?
The InChIKey is DCKXCANOTASBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O4/c12-11(13,14)9-17-16-7-4-18(1-2-19(7)9)8(21)3-6(5-20)15-10(22)23/h6,15,20H,1-5H2,(H,22,23).
What are the key properties of [1-hydroxy-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamic acid?
[1-hydroxy-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamic acid has a molecular weight of 337.26 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamic acid is sourced from PubChem (CID 67531780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).