4-(4-fluorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine

C11H11FN4 — CID 121484190

IUPAC4-(4-fluorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine
SMILESFc1ccc(C2NCCn3nncc32)cc1
InChIInChI=1S/C11H11FN4/c12-9-3-1-8(2-4-9)11-10-7-14-15-16(10)6-5-13-11/h1-4,7,11,13H,5-6H2
InChIKeyWXVPTIYXZQIVSI-UHFFFAOYSA-N
MW218.24 g/mol
LogP1.11
Rot. Bonds1

About 4-(4-fluorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine

4-(4-fluorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine (PubChem CID 121484190) has the molecular formula C11H11FN4 and a molecular weight of 218.24 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine
PubChem CID121484190
Molecular FormulaC11H11FN4
Molecular Weight218.24 g/mol
Exact Mass218.10
IUPAC Name4-(4-fluorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine
SMILESFc1ccc(C2NCCn3nncc32)cc1
InChIInChI=1S/C11H11FN4/c12-9-3-1-8(2-4-9)11-10-7-14-15-16(10)6-5-13-11/h1-4,7,11,13H,5-6H2
InChIKeyWXVPTIYXZQIVSI-UHFFFAOYSA-N
XLogP1.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(2R)-4-(4-pyridin-3-yltriazol-1-yl)-1-(2,4,5-trifluorophenyl)butan-2-amine
CID 147633748
(2R)-4-(4-pyridin-2-yltriazol-1-yl)-1-(2,4,5-trifluorophenyl)butan-2-amine
CID 147734944
(2R)-4-(4-methyltriazol-1-yl)-1-(2,4,5-trifluorophenyl)butan-2-amine
CID 147962139
1-Benzyl-4-(4-benzyl-1H-1,2,3-triazol-1-yl)piperidine
CID 155510683
3-(2-fluorophenyl)-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
CID 123133027
5-(3-benzyltriazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 121225849
1-((1-Benzyl-1H-1,2,3-triazol-4-yl)methyl)-4-methylpiperazine
CID 46228070
N-methyl-1-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]methanamine
CID 46994406
(2R)-1-(4-phenyltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine
CID 71732654
(2R)-4-(4-phenyltriazol-1-yl)-1-(2,4,5-trifluorophenyl)butan-2-amine
CID 71732743

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine?
The IUPAC name of 4-(4-fluorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine (CID 121484190) is 4-(4-fluorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-(4-fluorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine?
The canonical SMILES for 4-(4-fluorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine is Fc1ccc(C2NCCn3nncc32)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine?
The InChIKey is WXVPTIYXZQIVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4/c12-9-3-1-8(2-4-9)11-10-7-14-15-16(10)6-5-13-11/h1-4,7,11,13H,5-6H2.
What are the key properties of 4-(4-fluorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine?
4-(4-fluorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine has a molecular weight of 218.24 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine is sourced from PubChem (CID 121484190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).