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

C13H16FN5 — CID 107878502

IUPAC[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-fluorophenyl]methanamine
SMILESNCc1cc(CN2CCn3cnnc3C2)ccc1F
InChIInChI=1S/C13H16FN5/c14-12-2-1-10(5-11(12)6-15)7-18-3-4-19-9-16-17-13(19)8-18/h1-2,5,9H,3-4,6-8,15H2
InChIKeyGJVRUUIYCLIDFZ-UHFFFAOYSA-N
MW261.30 g/mol
LogP0.89
Rot. Bonds3

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

[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-fluorophenyl]methanamine (PubChem CID 107878502) has the molecular formula C13H16FN5 and a molecular weight of 261.30 g/mol. Its IUPAC name is [5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-fluorophenyl]methanamine
PubChem CID107878502
Molecular FormulaC13H16FN5
Molecular Weight261.30 g/mol
Exact Mass261.14
IUPAC Name[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-fluorophenyl]methanamine
SMILESNCc1cc(CN2CCn3cnnc3C2)ccc1F
InChIInChI=1S/C13H16FN5/c14-12-2-1-10(5-11(12)6-15)7-18-3-4-19-9-16-17-13(19)8-18/h1-2,5,9H,3-4,6-8,15H2
InChIKeyGJVRUUIYCLIDFZ-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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Related Compounds

[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)phenyl]methanamine
CID 64575255
[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-5-fluorophenyl]methanamine
CID 64574752
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-methylaniline
CID 64576218
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-5-fluoroaniline
CID 112646195
[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-fluorophenyl]methanamine
CID 107878026
3-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-5-fluorophenyl]prop-2-yn-1-amine
CID 64580759
[2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]methanamine
CID 107878107
5-bromo-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)aniline
CID 79713501
3-bromo-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)aniline
CID 64577277
7-[(4-fluorophenyl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 29217251
[2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine
CID 107878528
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-fluorobenzoic acid
CID 107119520

Frequently Asked Questions

What is the IUPAC name of [5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-fluorophenyl]methanamine?
The IUPAC name of [5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-fluorophenyl]methanamine (CID 107878502) is [5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-fluorophenyl]methanamine.
What is the SMILES notation for [5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-fluorophenyl]methanamine?
The canonical SMILES for [5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-fluorophenyl]methanamine is NCc1cc(CN2CCn3cnnc3C2)ccc1F.
What is the InChIKey of [5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-fluorophenyl]methanamine?
The InChIKey is GJVRUUIYCLIDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5/c14-12-2-1-10(5-11(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 [5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-fluorophenyl]methanamine?
[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-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 [5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-fluorophenyl]methanamine is sourced from PubChem (CID 107878502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).