1-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

C15H28N6O2 — CID 98798195

IUPAC1-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCC(C)CN1CCO[C@H](CNC(=O)N[C@H](C)c2nncn2C)C1
InChIInChI=1S/C15H28N6O2/c1-11(2)8-21-5-6-23-13(9-21)7-16-15(22)18-12(3)14-19-17-10-20(14)4/h10-13H,5-9H2,1-4H3,(H2,16,18,22)/t12-,13-/m1/s1
InChIKeyHTUXAQYNYFABCB-CHWSQXEVSA-N
MW324.43 g/mol
LogP0.53
Rot. Bonds6

About 1-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

1-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (PubChem CID 98798195) has the molecular formula C15H28N6O2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
PubChem CID98798195
Molecular FormulaC15H28N6O2
Molecular Weight324.43 g/mol
Exact Mass324.23
IUPAC Name1-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCC(C)CN1CCO[C@H](CNC(=O)N[C@H](C)c2nncn2C)C1
InChIInChI=1S/C15H28N6O2/c1-11(2)8-21-5-6-23-13(9-21)7-16-15(22)18-12(3)14-19-17-10-20(14)4/h10-13H,5-9H2,1-4H3,(H2,16,18,22)/t12-,13-/m1/s1
InChIKeyHTUXAQYNYFABCB-CHWSQXEVSA-N
XLogP0.53
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylphenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 4798763
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropanecarboxamide
CID 95168375
1-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea
CID 94178633
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 39484269
1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 55535969
1-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 98752904
1-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 98752905
1-[(4-methoxyphenyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 42889274
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 7995361
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazine-2-carboxamide
CID 30538165
1,3-dimethyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 39485235
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119834433

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The IUPAC name of 1-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (CID 98798195) is 1-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The canonical SMILES for 1-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is CC(C)CN1CCO[C@H](CNC(=O)N[C@H](C)c2nncn2C)C1.
What is the InChIKey of 1-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The InChIKey is HTUXAQYNYFABCB-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H28N6O2/c1-11(2)8-21-5-6-23-13(9-21)7-16-15(22)18-12(3)14-19-17-10-20(14)4/h10-13H,5-9H2,1-4H3,(H2,16,18,22)/t12-,13-/m1/s1.
What are the key properties of 1-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
1-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea has a molecular weight of 324.43 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is sourced from PubChem (CID 98798195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).