7-[(2-chloro-6-fluorophenyl)methyl]-3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C15H16ClFN4 — CID 71932584

IUPAC7-[(2-chloro-6-fluorophenyl)methyl]-3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cccc(Cl)c1CN1CCn2c(nnc2C2CC2)C1
InChIInChI=1S/C15H16ClFN4/c16-12-2-1-3-13(17)11(12)8-20-6-7-21-14(9-20)18-19-15(21)10-4-5-10/h1-3,10H,4-9H2
InChIKeyBPICYAUTSRIOFO-UHFFFAOYSA-N
MW306.77 g/mol
LogP2.96
Rot. Bonds3

About 7-[(2-chloro-6-fluorophenyl)methyl]-3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-[(2-chloro-6-fluorophenyl)methyl]-3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 71932584) has the molecular formula C15H16ClFN4 and a molecular weight of 306.77 g/mol. Its IUPAC name is 7-[(2-chloro-6-fluorophenyl)methyl]-3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[(2-chloro-6-fluorophenyl)methyl]-3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID71932584
Molecular FormulaC15H16ClFN4
Molecular Weight306.77 g/mol
Exact Mass306.10
IUPAC Name7-[(2-chloro-6-fluorophenyl)methyl]-3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cccc(Cl)c1CN1CCn2c(nnc2C2CC2)C1
InChIInChI=1S/C15H16ClFN4/c16-12-2-1-3-13(17)11(12)8-20-6-7-21-14(9-20)18-19-15(21)10-4-5-10/h1-3,10H,4-9H2
InChIKeyBPICYAUTSRIOFO-UHFFFAOYSA-N
XLogP2.96
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-chloro-6-fluorophenyl)methyl]-3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[(2-chloro-6-fluorophenyl)methyl]-3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 71932584) is 7-[(2-chloro-6-fluorophenyl)methyl]-3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[(2-chloro-6-fluorophenyl)methyl]-3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[(2-chloro-6-fluorophenyl)methyl]-3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is Fc1cccc(Cl)c1CN1CCn2c(nnc2C2CC2)C1.
What is the InChIKey of 7-[(2-chloro-6-fluorophenyl)methyl]-3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is BPICYAUTSRIOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN4/c16-12-2-1-3-13(17)11(12)8-20-6-7-21-14(9-20)18-19-15(21)10-4-5-10/h1-3,10H,4-9H2.
What are the key properties of 7-[(2-chloro-6-fluorophenyl)methyl]-3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[(2-chloro-6-fluorophenyl)methyl]-3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 306.77 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chloro-6-fluorophenyl)methyl]-3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 71932584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).