1-(2-methyl-2-morpholin-4-ylpropyl)-3-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea

C19H28N6O2 — CID 55769889

IUPAC1-(2-methyl-2-morpholin-4-ylpropyl)-3-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea
SMILESCC(C)(CNC(=O)NCc1cccc(Cn2cncn2)c1)N1CCOCC1
InChIInChI=1S/C19H28N6O2/c1-19(2,24-6-8-27-9-7-24)13-22-18(26)21-11-16-4-3-5-17(10-16)12-25-15-20-14-23-25/h3-5,10,14-15H,6-9,11-13H2,1-2H3,(H2,21,22,26)
InChIKeyGHQBAYLUZIYISQ-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.24
Rot. Bonds7

About 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea

1-(2-methyl-2-morpholin-4-ylpropyl)-3-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea (PubChem CID 55769889) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2-methyl-2-morpholin-4-ylpropyl)-3-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea
PubChem CID55769889
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name1-(2-methyl-2-morpholin-4-ylpropyl)-3-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea
SMILESCC(C)(CNC(=O)NCc1cccc(Cn2cncn2)c1)N1CCOCC1
InChIInChI=1S/C19H28N6O2/c1-19(2,24-6-8-27-9-7-24)13-22-18(26)21-11-16-4-3-5-17(10-16)12-25-15-20-14-23-25/h3-5,10,14-15H,6-9,11-13H2,1-2H3,(H2,21,22,26)
InChIKeyGHQBAYLUZIYISQ-UHFFFAOYSA-N
XLogP1.24
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111313612
2-(benzylcarbamoylamino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 30905093
2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62446622
1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)-2-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111320201
1-acetamido-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 55972310
3-methyl-3-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 75463933
3-fluoro-4-methyl-N-[2-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methylcarbamoylamino]ethyl]benzamide
CID 55793823
(2R,6S)-2-ethyl-6-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 95622043
1-ethyl-3-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111658150
3,5-dichloro-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55751554
3-(1,2,4-triazol-1-ylmethyl)benzoic acid
CID 3159713
N-(2-methyl-2-morpholin-4-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 51253483

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea (CID 55769889) is 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea is CC(C)(CNC(=O)NCc1cccc(Cn2cncn2)c1)N1CCOCC1.
What is the InChIKey of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea?
The InChIKey is GHQBAYLUZIYISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-19(2,24-6-8-27-9-7-24)13-22-18(26)21-11-16-4-3-5-17(10-16)12-25-15-20-14-23-25/h3-5,10,14-15H,6-9,11-13H2,1-2H3,(H2,21,22,26).
What are the key properties of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea?
1-(2-methyl-2-morpholin-4-ylpropyl)-3-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea has a molecular weight of 372.47 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 55769889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).