1-benzyl-N-(2-morpholin-4-ylethyl)triazol-4-amine

C15H21N5O — CID 76683779

IUPAC1-benzyl-N-(2-morpholin-4-ylethyl)triazol-4-amine
SMILESc1ccc(Cn2cc(NCCN3CCOCC3)nn2)cc1
InChIInChI=1S/C15H21N5O/c1-2-4-14(5-3-1)12-20-13-15(17-18-20)16-6-7-19-8-10-21-11-9-19/h1-5,13,16H,6-12H2
InChIKeyJKXQWGKZWMBQSY-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.07
Rot. Bonds6

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

1-benzyl-N-(2-morpholin-4-ylethyl)triazol-4-amine (PubChem CID 76683779) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-benzyl-N-(2-morpholin-4-ylethyl)triazol-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(2-morpholin-4-ylethyl)triazol-4-amine
PubChem CID76683779
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-benzyl-N-(2-morpholin-4-ylethyl)triazol-4-amine
SMILESc1ccc(Cn2cc(NCCN3CCOCC3)nn2)cc1
InChIInChI=1S/C15H21N5O/c1-2-4-14(5-3-1)12-20-13-15(17-18-20)16-6-7-19-8-10-21-11-9-19/h1-5,13,16H,6-12H2
InChIKeyJKXQWGKZWMBQSY-UHFFFAOYSA-N
XLogP1.07
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683678
1-(3,4-dichlorobenzyl)-N-(2-morpholinoethyl)-1H-1,2,3-triazol-4-amine
CID 76683777
1-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 76683785
N-[2-(azepan-1-yl)ethyl]-1-benzyltriazol-4-amine
CID 76683883
1-[(4-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683885
1-[(3-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683976
N-(1-benzyltriazol-4-yl)-N',N'-diethylethane-1,2-diamine
CID 76683978
1-[(3,4-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 76684096
1-[(3,4-difluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76684100
1-[(3,4-difluorophenyl)methyl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine
CID 76684202
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine
CID 76684208
1-[(3,4-dichlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)triazol-4-amine
CID 76684564

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-morpholin-4-ylethyl)triazol-4-amine?
The IUPAC name of 1-benzyl-N-(2-morpholin-4-ylethyl)triazol-4-amine (CID 76683779) is 1-benzyl-N-(2-morpholin-4-ylethyl)triazol-4-amine.
What is the SMILES notation for 1-benzyl-N-(2-morpholin-4-ylethyl)triazol-4-amine?
The canonical SMILES for 1-benzyl-N-(2-morpholin-4-ylethyl)triazol-4-amine is c1ccc(Cn2cc(NCCN3CCOCC3)nn2)cc1.
What is the InChIKey of 1-benzyl-N-(2-morpholin-4-ylethyl)triazol-4-amine?
The InChIKey is JKXQWGKZWMBQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-2-4-14(5-3-1)12-20-13-15(17-18-20)16-6-7-19-8-10-21-11-9-19/h1-5,13,16H,6-12H2.
What are the key properties of 1-benzyl-N-(2-morpholin-4-ylethyl)triazol-4-amine?
1-benzyl-N-(2-morpholin-4-ylethyl)triazol-4-amine has a molecular weight of 287.37 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-morpholin-4-ylethyl)triazol-4-amine is sourced from PubChem (CID 76683779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).