1-(4-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]methanamine

C11H13FN4 — CID 115682021

IUPAC1-(4-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]methanamine
SMILESCn1nncc1CNCc1ccc(F)cc1
InChIInChI=1S/C11H13FN4/c1-16-11(8-14-15-16)7-13-6-9-2-4-10(12)5-3-9/h2-5,8,13H,6-7H2,1H3
InChIKeyKLSJSQSZDWLOMR-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.24
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]methanamine

1-(4-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]methanamine (PubChem CID 115682021) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]methanamine
PubChem CID115682021
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name1-(4-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]methanamine
SMILESCn1nncc1CNCc1ccc(F)cc1
InChIInChI=1S/C11H13FN4/c1-16-11(8-14-15-16)7-13-6-9-2-4-10(12)5-3-9/h2-5,8,13H,6-7H2,1H3
InChIKeyKLSJSQSZDWLOMR-UHFFFAOYSA-N
XLogP1.24
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyltriazol-4-yl)methyl]-1-phenylmethanamine
CID 115682087
N-[(3-methyltriazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 115682218
1-(4-fluorophenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine
CID 122168378
4-fluoro-2-methyl-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115685525
2-(4-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682028
2-(1-methyl-1,2,4-triazol-3-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115689890
N-[(3-methyltriazol-4-yl)methyl]pentan-1-amine
CID 115682072
3,3-dimethyl-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine
CID 115682257
N-[(1-methylimidazol-2-yl)methyl]-1-(3-methyltriazol-4-yl)methanamine
CID 115682578
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 122165886
1-(4-chloro-1-methylpyrrol-2-yl)-N-[(3-methyltriazol-4-yl)methyl]methanamine
CID 115693317
1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62759131

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]methanamine (CID 115682021) is 1-(4-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]methanamine is Cn1nncc1CNCc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]methanamine?
The InChIKey is KLSJSQSZDWLOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-16-11(8-14-15-16)7-13-6-9-2-4-10(12)5-3-9/h2-5,8,13H,6-7H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]methanamine?
1-(4-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]methanamine has a molecular weight of 220.25 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]methanamine is sourced from PubChem (CID 115682021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).