2-[4-(2-fluorophenyl)-5-methoxy-1,2,4-triazol-3-yl]ethanamine

C11H13FN4O — CID 83897003

IUPAC2-[4-(2-fluorophenyl)-5-methoxy-1,2,4-triazol-3-yl]ethanamine
SMILESCOc1nnc(CCN)n1-c1ccccc1F
InChIInChI=1S/C11H13FN4O/c1-17-11-15-14-10(6-7-13)16(11)9-5-3-2-4-8(9)12/h2-5H,6-7,13H2,1H3
InChIKeyMYHOKEFMTBQEAE-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.92
Rot. Bonds4

About 2-[4-(2-fluorophenyl)-5-methoxy-1,2,4-triazol-3-yl]ethanamine

2-[4-(2-fluorophenyl)-5-methoxy-1,2,4-triazol-3-yl]ethanamine (PubChem CID 83897003) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)-5-methoxy-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)-5-methoxy-1,2,4-triazol-3-yl]ethanamine
PubChem CID83897003
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name2-[4-(2-fluorophenyl)-5-methoxy-1,2,4-triazol-3-yl]ethanamine
SMILESCOc1nnc(CCN)n1-c1ccccc1F
InChIInChI=1S/C11H13FN4O/c1-17-11-15-14-10(6-7-13)16(11)9-5-3-2-4-8(9)12/h2-5H,6-7,13H2,1H3
InChIKeyMYHOKEFMTBQEAE-UHFFFAOYSA-N
XLogP0.92
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(2-aminoethyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylpropanamide;hydrochloride
CID 154905656
2-[1-(2-methoxyphenyl)-5-methylimidazol-2-yl]ethanamine
CID 83894917
3-(chloromethyl)-5-methoxy-4-phenyl-1,2,4-triazole
CID 115397353
4-(2-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]-5-methylsulfanyl-1,2,4-triazole
CID 7149688
2-[4-(3-chloro-4-methoxyphenyl)-5-(chloromethyl)-1,2,4-triazol-3-yl]ethanamine
CID 83968020
3-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)-5-(4-phenylbutylsulfanyl)-1,2,4-triazole
CID 91299856
2-[5-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 106969607
[6-(2-fluorophenyl)-2-methoxy-3-pyridinyl]methanamine
CID 84695528
3-(chloromethyl)-4-(2-fluorophenyl)-5-(4-methylphenyl)-1,2,4-triazole
CID 83968006
[5-bromo-1-(2-fluorophenyl)imidazol-2-yl]methanamine
CID 83903270
4-[2-(aminomethyl)phenyl]-5-methoxy-2-methyl-1,2,4-triazol-3-one
CID 23527602
2-ethyl-5-[[4-(2-fluorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 37056625

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)-5-methoxy-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[4-(2-fluorophenyl)-5-methoxy-1,2,4-triazol-3-yl]ethanamine (CID 83897003) is 2-[4-(2-fluorophenyl)-5-methoxy-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[4-(2-fluorophenyl)-5-methoxy-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[4-(2-fluorophenyl)-5-methoxy-1,2,4-triazol-3-yl]ethanamine is COc1nnc(CCN)n1-c1ccccc1F.
What is the InChIKey of 2-[4-(2-fluorophenyl)-5-methoxy-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is MYHOKEFMTBQEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-17-11-15-14-10(6-7-13)16(11)9-5-3-2-4-8(9)12/h2-5H,6-7,13H2,1H3.
What are the key properties of 2-[4-(2-fluorophenyl)-5-methoxy-1,2,4-triazol-3-yl]ethanamine?
2-[4-(2-fluorophenyl)-5-methoxy-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 236.25 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)-5-methoxy-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 83897003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).