7-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C11H13F3N6 — CID 127428121

IUPAC7-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCn1cncc1CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H13F3N6/c1-18-7-15-4-8(18)5-19-2-3-20-9(6-19)16-17-10(20)11(12,13)14/h4,7H,2-3,5-6H2,1H3
InChIKeyVQXZDYWHWKWIRG-UHFFFAOYSA-N
MW286.26 g/mol
LogP1.05
Rot. Bonds2

About 7-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 127428121) has the molecular formula C11H13F3N6 and a molecular weight of 286.26 g/mol. Its IUPAC name is 7-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID127428121
Molecular FormulaC11H13F3N6
Molecular Weight286.26 g/mol
Exact Mass286.12
IUPAC Name7-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCn1cncc1CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H13F3N6/c1-18-7-15-4-8(18)5-19-2-3-20-9(6-19)16-17-10(20)11(12,13)14/h4,7H,2-3,5-6H2,1H3
InChIKeyVQXZDYWHWKWIRG-UHFFFAOYSA-N
XLogP1.05
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 127428121) is 7-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is Cn1cncc1CN1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 7-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is VQXZDYWHWKWIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6/c1-18-7-15-4-8(18)5-19-2-3-20-9(6-19)16-17-10(20)11(12,13)14/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 7-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 286.26 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 127428121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).