4-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-yl]benzamide

C16H19N5O3 — CID 46270543

IUPAC4-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ncn(CC(=O)N3CCOCC3)n2)cc1
InChIInChI=1S/C16H19N5O3/c1-12-2-4-13(5-3-12)15(23)18-16-17-11-21(19-16)10-14(22)20-6-8-24-9-7-20/h2-5,11H,6-10H2,1H3,(H,18,19,23)
InChIKeyRHONGFIVVPUFJQ-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.70
Rot. Bonds4

About 4-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-yl]benzamide

4-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-yl]benzamide (PubChem CID 46270543) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-yl]benzamide
PubChem CID46270543
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name4-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ncn(CC(=O)N3CCOCC3)n2)cc1
InChIInChI=1S/C16H19N5O3/c1-12-2-4-13(5-3-12)15(23)18-16-17-11-21(19-16)10-14(22)20-6-8-24-9-7-20/h2-5,11H,6-10H2,1H3,(H,18,19,23)
InChIKeyRHONGFIVVPUFJQ-UHFFFAOYSA-N
XLogP0.70
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 4-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-yl]benzamide (CID 46270543) is 4-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 4-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-yl]benzamide is Cc1ccc(C(=O)Nc2ncn(CC(=O)N3CCOCC3)n2)cc1.
What is the InChIKey of 4-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-yl]benzamide?
The InChIKey is RHONGFIVVPUFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-12-2-4-13(5-3-12)15(23)18-16-17-11-21(19-16)10-14(22)20-6-8-24-9-7-20/h2-5,11H,6-10H2,1H3,(H,18,19,23).
What are the key properties of 4-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-yl]benzamide?
4-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-yl]benzamide has a molecular weight of 329.36 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 46270543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).