N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide

C8H9F3N4O — CID 76849414

IUPACN-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide
SMILESO=CNc1nc(C(F)(F)F)n2c1CNCC2
InChIInChI=1S/C8H9F3N4O/c9-8(10,11)7-14-6(13-4-16)5-3-12-1-2-15(5)7/h4,12H,1-3H2,(H,13,16)
InChIKeyCLYWWAQECOVBIJ-UHFFFAOYSA-N
MW234.18 g/mol
LogP0.57
Rot. Bonds2

About N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide

N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide (PubChem CID 76849414) has the molecular formula C8H9F3N4O and a molecular weight of 234.18 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide
PubChem CID76849414
Molecular FormulaC8H9F3N4O
Molecular Weight234.18 g/mol
Exact Mass234.07
IUPAC NameN-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide
SMILESO=CNc1nc(C(F)(F)F)n2c1CNCC2
InChIInChI=1S/C8H9F3N4O/c9-8(10,11)7-14-6(13-4-16)5-3-12-1-2-15(5)7/h4,12H,1-3H2,(H,13,16)
InChIKeyCLYWWAQECOVBIJ-UHFFFAOYSA-N
XLogP0.57
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide?
The IUPAC name of N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide (CID 76849414) is N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide.
What is the SMILES notation for N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide?
The canonical SMILES for N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide is O=CNc1nc(C(F)(F)F)n2c1CNCC2.
What is the InChIKey of N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide?
The InChIKey is CLYWWAQECOVBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O/c9-8(10,11)7-14-6(13-4-16)5-3-12-1-2-15(5)7/h4,12H,1-3H2,(H,13,16).
What are the key properties of N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide?
N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide has a molecular weight of 234.18 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide is sourced from PubChem (CID 76849414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).