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

C14H17ClFN5O — CID 76684212

IUPAC1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine
SMILESFc1ccc(-n2cc(NCCN3CCOCC3)nn2)cc1Cl
InChIInChI=1S/C14H17ClFN5O/c15-12-9-11(1-2-13(12)16)21-10-14(18-19-21)17-3-4-20-5-7-22-8-6-20/h1-2,9-10,17H,3-8H2
InChIKeyHWAZLMACHDXLHE-UHFFFAOYSA-N
MW325.78 g/mol
LogP1.80
Rot. Bonds5

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

1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine (PubChem CID 76684212) has the molecular formula C14H17ClFN5O and a molecular weight of 325.78 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine
PubChem CID76684212
Molecular FormulaC14H17ClFN5O
Molecular Weight325.78 g/mol
Exact Mass325.11
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine
SMILESFc1ccc(-n2cc(NCCN3CCOCC3)nn2)cc1Cl
InChIInChI=1S/C14H17ClFN5O/c15-12-9-11(1-2-13(12)16)21-10-14(18-19-21)17-3-4-20-5-7-22-8-6-20/h1-2,9-10,17H,3-8H2
InChIKeyHWAZLMACHDXLHE-UHFFFAOYSA-N
XLogP1.80
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dichlorophenyl)-N-(2-morpholinoethyl)-1H-pyrazol-3-amine
CID 24743568
1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76073628
1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683680
1-(3,4-dichlorophenyl)-N-(2-morpholinoethyl)-1H-1,2,3-triazol-4-amine
CID 76683773
1-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 76683785
1-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine
CID 76683982
1-(3-fluorophenyl)-N-[2-(1,4-oxazepan-4-yl)ethyl]triazol-4-amine
CID 76684092
1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76684104
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-[4-[2-[[1-(3,4-Dichlorophenyl)triazol-4-yl]amino]ethyl]piperazin-1-yl]ethanone
CID 76684304

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine (CID 76684212) is 1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine is Fc1ccc(-n2cc(NCCN3CCOCC3)nn2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine?
The InChIKey is HWAZLMACHDXLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN5O/c15-12-9-11(1-2-13(12)16)21-10-14(18-19-21)17-3-4-20-5-7-22-8-6-20/h1-2,9-10,17H,3-8H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine?
1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine has a molecular weight of 325.78 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine is sourced from PubChem (CID 76684212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).