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

C13H13ClFN5 — CID 19906261

IUPAC3-[(2-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;hydrochloride
SMILESCNc1nccn2c(Cc3ccccc3F)nnc12.Cl
InChIInChI=1S/C13H12FN5.ClH/c1-15-12-13-18-17-11(19(13)7-6-16-12)8-9-4-2-3-5-10(9)14;/h2-7H,8H2,1H3,(H,15,16);1H
InChIKeyASUDSRYVVMWQQO-UHFFFAOYSA-N
MW293.73 g/mol
LogP2.32
Rot. Bonds3

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

3-[(2-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;hydrochloride (PubChem CID 19906261) has the molecular formula C13H13ClFN5 and a molecular weight of 293.73 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;hydrochloride.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;hydrochloride
PubChem CID19906261
Molecular FormulaC13H13ClFN5
Molecular Weight293.73 g/mol
Exact Mass293.08
IUPAC Name3-[(2-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;hydrochloride
SMILESCNc1nccn2c(Cc3ccccc3F)nnc12.Cl
InChIInChI=1S/C13H12FN5.ClH/c1-15-12-13-18-17-11(19(13)7-6-16-12)8-9-4-2-3-5-10(9)14;/h2-7H,8H2,1H3,(H,15,16);1H
InChIKeyASUDSRYVVMWQQO-UHFFFAOYSA-N
XLogP2.32
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;hydrochloride?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;hydrochloride (CID 19906261) is 3-[(2-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;hydrochloride.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;hydrochloride?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;hydrochloride is CNc1nccn2c(Cc3ccccc3F)nnc12.Cl.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;hydrochloride?
The InChIKey is ASUDSRYVVMWQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5.ClH/c1-15-12-13-18-17-11(19(13)7-6-16-12)8-9-4-2-3-5-10(9)14;/h2-7H,8H2,1H3,(H,15,16);1H.
What are the key properties of 3-[(2-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;hydrochloride?
3-[(2-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;hydrochloride has a molecular weight of 293.73 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;hydrochloride is sourced from PubChem (CID 19906261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).