3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C12H10FN5 — CID 10037412

IUPAC3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESNc1nccn2c(Cc3ccc(F)cc3)nnc12
InChIInChI=1S/C12H10FN5/c13-9-3-1-8(2-4-9)7-10-16-17-12-11(14)15-5-6-18(10)12/h1-6H,7H2,(H2,14,15)
InChIKeyNTRDLIDVIRMFQK-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.44
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 10037412) has the molecular formula C12H10FN5 and a molecular weight of 243.25 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID10037412
Molecular FormulaC12H10FN5
Molecular Weight243.25 g/mol
Exact Mass243.09
IUPAC Name3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESNc1nccn2c(Cc3ccc(F)cc3)nnc12
InChIInChI=1S/C12H10FN5/c13-9-3-1-8(2-4-9)7-10-16-17-12-11(14)15-5-6-18(10)12/h1-6H,7H2,(H2,14,15)
InChIKeyNTRDLIDVIRMFQK-UHFFFAOYSA-N
XLogP1.44
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 10037412) is 3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Nc1nccn2c(Cc3ccc(F)cc3)nnc12.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is NTRDLIDVIRMFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5/c13-9-3-1-8(2-4-9)7-10-16-17-12-11(14)15-5-6-18(10)12/h1-6H,7H2,(H2,14,15).
What are the key properties of 3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 243.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 10037412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).