1-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine

C14H18FN5O — CID 76683785

IUPAC1-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine
SMILESFc1cccc(-n2cc(NCCN3CCOCC3)nn2)c1
InChIInChI=1S/C14H18FN5O/c15-12-2-1-3-13(10-12)20-11-14(17-18-20)16-4-5-19-6-8-21-9-7-19/h1-3,10-11,16H,4-9H2
InChIKeyLEHKMHNDUKYEKV-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.15
Rot. Bonds5

About 1-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine

1-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine (PubChem CID 76683785) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine
PubChem CID76683785
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name1-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine
SMILESFc1cccc(-n2cc(NCCN3CCOCC3)nn2)c1
InChIInChI=1S/C14H18FN5O/c15-12-2-1-3-13(10-12)20-11-14(17-18-20)16-4-5-19-6-8-21-9-7-19/h1-3,10-11,16H,4-9H2
InChIKeyLEHKMHNDUKYEKV-UHFFFAOYSA-N
XLogP1.15
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dichlorophenyl)-N-(2-morpholinoethyl)-1H-1,2,3-triazol-4-amine
CID 76683773
N-[2-(azepan-1-yl)ethyl]-1-(3-fluorophenyl)triazol-4-amine
CID 76683877
1-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine
CID 76683982
N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-1-(3-fluorophenyl)triazol-4-amine
CID 76683988
1-(3-fluorophenyl)-N-[2-(1,4-oxazepan-4-yl)ethyl]triazol-4-amine
CID 76684092
1-[(3,4-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 76684096
1-(3,4-difluorophenyl)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine
CID 76684206
1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76684214
1-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76684294
1-(3,4-difluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76684296
1-(2,4-difluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76684481
1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 90269112

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine (CID 76683785) is 1-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine is Fc1cccc(-n2cc(NCCN3CCOCC3)nn2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine?
The InChIKey is LEHKMHNDUKYEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O/c15-12-2-1-3-13(10-12)20-11-14(17-18-20)16-4-5-19-6-8-21-9-7-19/h1-3,10-11,16H,4-9H2.
What are the key properties of 1-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine?
1-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine has a molecular weight of 291.33 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine is sourced from PubChem (CID 76683785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).