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

C14H17F2N5O — CID 76684204

IUPAC1-(3,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine
SMILESFc1ccc(-n2cc(NCCN3CCOCC3)nn2)cc1F
InChIInChI=1S/C14H17F2N5O/c15-12-2-1-11(9-13(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
InChIKeyAGZXMGVIXMWNCO-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.29
Rot. Bonds5

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

1-(3,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine (PubChem CID 76684204) has the molecular formula C14H17F2N5O and a molecular weight of 309.32 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine
PubChem CID76684204
Molecular FormulaC14H17F2N5O
Molecular Weight309.32 g/mol
Exact Mass309.14
IUPAC Name1-(3,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine
SMILESFc1ccc(-n2cc(NCCN3CCOCC3)nn2)cc1F
InChIInChI=1S/C14H17F2N5O/c15-12-2-1-11(9-13(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
InChIKeyAGZXMGVIXMWNCO-UHFFFAOYSA-N
XLogP1.29
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine (CID 76684204) is 1-(3,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine is Fc1ccc(-n2cc(NCCN3CCOCC3)nn2)cc1F.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine?
The InChIKey is AGZXMGVIXMWNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5O/c15-12-2-1-11(9-13(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-(3,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine?
1-(3,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine has a molecular weight of 309.32 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine is sourced from PubChem (CID 76684204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).