4-morpholin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide

C15H19N5O2 — CID 138035822

IUPAC4-morpholin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide
SMILESO=C(NCCn1cnnc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H19N5O2/c21-15(16-5-6-19-11-17-18-12-19)13-1-3-14(4-2-13)20-7-9-22-10-8-20/h1-4,11-12H,5-10H2,(H,16,21)
InChIKeyDQHVKUXADIILOA-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.54
Rot. Bonds5

About 4-morpholin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide

4-morpholin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide (PubChem CID 138035822) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-morpholin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide
PubChem CID138035822
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name4-morpholin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide
SMILESO=C(NCCn1cnnc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H19N5O2/c21-15(16-5-6-19-11-17-18-12-19)13-1-3-14(4-2-13)20-7-9-22-10-8-20/h1-4,11-12H,5-10H2,(H,16,21)
InChIKeyDQHVKUXADIILOA-UHFFFAOYSA-N
XLogP0.54
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-morpholin-4-ylbenzamide
CID 131942685
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CID 110474046
4-morpholin-4-yl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]benzamide
CID 71805265
N-[3-(furan-2-yl)propyl]-4-morpholin-4-ylbenzamide
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CID 70704015
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-morpholin-4-ylbenzamide
CID 131906584
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266927
4-morpholin-4-yl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 126577349
N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 70702781
N-(2-morpholin-4-ylethyl)-4-(tetrazol-1-ylmethyl)benzamide
CID 74238226

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-morpholin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide (CID 138035822) is 4-morpholin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-morpholin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-morpholin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide is O=C(NCCn1cnnc1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide?
The InChIKey is DQHVKUXADIILOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c21-15(16-5-6-19-11-17-18-12-19)13-1-3-14(4-2-13)20-7-9-22-10-8-20/h1-4,11-12H,5-10H2,(H,16,21).
What are the key properties of 4-morpholin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide?
4-morpholin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide has a molecular weight of 301.35 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 138035822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).