1-(4-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine

C11H13FN4 — CID 115645187

IUPAC1-(4-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1nc(CNCc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C11H13FN4/c1-8-14-11(16-15-8)7-13-6-9-2-4-10(12)5-3-9/h2-5,13H,6-7H2,1H3,(H,14,15,16)
InChIKeyAUKICFPHCGZPAH-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.54
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine

1-(4-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 115645187) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID115645187
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name1-(4-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1nc(CNCc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C11H13FN4/c1-8-14-11(16-15-8)7-13-6-9-2-4-10(12)5-3-9/h2-5,13H,6-7H2,1H3,(H,14,15,16)
InChIKeyAUKICFPHCGZPAH-UHFFFAOYSA-N
XLogP1.54
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 103991490
1-(2-methyl-1,3-thiazol-4-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
CID 115672794
2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 103991484
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
1-[(2-bromo-4-fluorophenyl)methyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea
CID 138022624
1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62759131
1-(4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62846962
N-[(4-fluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103648024
N-[(3-bromo-4-methylphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 113344499
N-[(4-bromophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine
CID 18778252
1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978650
N'-(4,6-dimethylpyrimidin-2-yl)-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine
CID 102536508

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine (CID 115645187) is 1-(4-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine is Cc1nc(CNCc2ccc(F)cc2)n[nH]1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is AUKICFPHCGZPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-8-14-11(16-15-8)7-13-6-9-2-4-10(12)5-3-9/h2-5,13H,6-7H2,1H3,(H,14,15,16).
What are the key properties of 1-(4-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine?
1-(4-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 220.25 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 115645187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).