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

C15H19F2N5O — CID 76684096

IUPAC1-[(3,4-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine
SMILESFc1ccc(Cn2cc(NCCN3CCOCC3)nn2)cc1F
InChIInChI=1S/C15H19F2N5O/c16-13-2-1-12(9-14(13)17)10-22-11-15(19-20-22)18-3-4-21-5-7-23-8-6-21/h1-2,9,11,18H,3-8,10H2
InChIKeyIHXGZVXMQKYCLA-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.35
Rot. Bonds6

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

1-[(3,4-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine (PubChem CID 76684096) has the molecular formula C15H19F2N5O and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine
PubChem CID76684096
Molecular FormulaC15H19F2N5O
Molecular Weight323.35 g/mol
Exact Mass323.16
IUPAC Name1-[(3,4-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine
SMILESFc1ccc(Cn2cc(NCCN3CCOCC3)nn2)cc1F
InChIInChI=1S/C15H19F2N5O/c16-13-2-1-12(9-14(13)17)10-22-11-15(19-20-22)18-3-4-21-5-7-23-8-6-21/h1-2,9,11,18H,3-8,10H2
InChIKeyIHXGZVXMQKYCLA-UHFFFAOYSA-N
XLogP1.35
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.35
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)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine (CID 76684096) is 1-[(3,4-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine is Fc1ccc(Cn2cc(NCCN3CCOCC3)nn2)cc1F.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine?
The InChIKey is IHXGZVXMQKYCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N5O/c16-13-2-1-12(9-14(13)17)10-22-11-15(19-20-22)18-3-4-21-5-7-23-8-6-21/h1-2,9,11,18H,3-8,10H2.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine?
1-[(3,4-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine has a molecular weight of 323.35 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine is sourced from PubChem (CID 76684096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).