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

C13H16FN5 — CID 64574752

IUPAC[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1CN1CCn2cnnc2C1
InChIInChI=1S/C13H16FN5/c14-12-2-1-10(11(5-12)6-15)7-18-3-4-19-9-16-17-13(19)8-18/h1-2,5,9H,3-4,6-8,15H2
InChIKeyDXRKEMOBZJANAI-UHFFFAOYSA-N
MW261.30 g/mol
LogP0.89
Rot. Bonds3

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

[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-5-fluorophenyl]methanamine (PubChem CID 64574752) has the molecular formula C13H16FN5 and a molecular weight of 261.30 g/mol. Its IUPAC name is [2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-5-fluorophenyl]methanamine
PubChem CID64574752
Molecular FormulaC13H16FN5
Molecular Weight261.30 g/mol
Exact Mass261.14
IUPAC Name[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1CN1CCn2cnnc2C1
InChIInChI=1S/C13H16FN5/c14-12-2-1-10(11(5-12)6-15)7-18-3-4-19-9-16-17-13(19)8-18/h1-2,5,9H,3-4,6-8,15H2
InChIKeyDXRKEMOBZJANAI-UHFFFAOYSA-N
XLogP0.89
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-5-fluorophenyl]methanamine?
The IUPAC name of [2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-5-fluorophenyl]methanamine (CID 64574752) is [2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-5-fluorophenyl]methanamine?
The canonical SMILES for [2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-5-fluorophenyl]methanamine is NCc1cc(F)ccc1CN1CCn2cnnc2C1.
What is the InChIKey of [2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-5-fluorophenyl]methanamine?
The InChIKey is DXRKEMOBZJANAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5/c14-12-2-1-10(11(5-12)6-15)7-18-3-4-19-9-16-17-13(19)8-18/h1-2,5,9H,3-4,6-8,15H2.
What are the key properties of [2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-5-fluorophenyl]methanamine?
[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-5-fluorophenyl]methanamine has a molecular weight of 261.30 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-5-fluorophenyl]methanamine is sourced from PubChem (CID 64574752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).