[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorophenyl]methanamine

C12H14FN5 — CID 64576072

IUPAC[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorophenyl]methanamine
SMILESNCc1ccc(N2CCn3cnnc3C2)c(F)c1
InChIInChI=1S/C12H14FN5/c13-10-5-9(6-14)1-2-11(10)17-3-4-18-8-15-16-12(18)7-17/h1-2,5,8H,3-4,6-7,14H2
InChIKeyNKRJZOLCPZTBTR-UHFFFAOYSA-N
MW247.28 g/mol
LogP0.90
Rot. Bonds2

About [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorophenyl]methanamine

[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorophenyl]methanamine (PubChem CID 64576072) has the molecular formula C12H14FN5 and a molecular weight of 247.28 g/mol. Its IUPAC name is [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorophenyl]methanamine
PubChem CID64576072
Molecular FormulaC12H14FN5
Molecular Weight247.28 g/mol
Exact Mass247.12
IUPAC Name[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorophenyl]methanamine
SMILESNCc1ccc(N2CCn3cnnc3C2)c(F)c1
InChIInChI=1S/C12H14FN5/c13-10-5-9(6-14)1-2-11(10)17-3-4-18-8-15-16-12(18)7-17/h1-2,5,8H,3-4,6-7,14H2
InChIKeyNKRJZOLCPZTBTR-UHFFFAOYSA-N
XLogP0.90
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorophenyl]methanamine?
The IUPAC name of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorophenyl]methanamine (CID 64576072) is [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorophenyl]methanamine?
The canonical SMILES for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorophenyl]methanamine is NCc1ccc(N2CCn3cnnc3C2)c(F)c1.
What is the InChIKey of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorophenyl]methanamine?
The InChIKey is NKRJZOLCPZTBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5/c13-10-5-9(6-14)1-2-11(10)17-3-4-18-8-15-16-12(18)7-17/h1-2,5,8H,3-4,6-7,14H2.
What are the key properties of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorophenyl]methanamine?
[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorophenyl]methanamine has a molecular weight of 247.28 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorophenyl]methanamine is sourced from PubChem (CID 64576072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).