1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea

C22H26N6O2 — CID 56519340

IUPAC1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
SMILESCc1nc(-c2cccc(NC(=O)NCC3CN(Cc4ccccc4)CCO3)c2)n[nH]1
InChIInChI=1S/C22H26N6O2/c1-16-24-21(27-26-16)18-8-5-9-19(12-18)25-22(29)23-13-20-15-28(10-11-30-20)14-17-6-3-2-4-7-17/h2-9,12,20H,10-11,13-15H2,1H3,(H2,23,25,29)(H,24,26,27)
InChIKeyDALMCMXHFRMBDL-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.80
Rot. Bonds6

About 1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea

1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea (PubChem CID 56519340) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
PubChem CID56519340
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
SMILESCc1nc(-c2cccc(NC(=O)NCC3CN(Cc4ccccc4)CCO3)c2)n[nH]1
InChIInChI=1S/C22H26N6O2/c1-16-24-21(27-26-16)18-8-5-9-19(12-18)25-22(29)23-13-20-15-28(10-11-30-20)14-17-6-3-2-4-7-17/h2-9,12,20H,10-11,13-15H2,1H3,(H2,23,25,29)(H,24,26,27)
InChIKeyDALMCMXHFRMBDL-UHFFFAOYSA-N
XLogP2.80
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea with MolForge

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Related Compounds

(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
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CID 134057540
1-[3-(aminomethyl)phenyl]-3-[(4-ethylmorpholin-2-yl)methyl]urea
CID 114400875
N-[(4-benzylmorpholin-2-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 42886737
N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906
1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 51579370
N-[(4-benzylmorpholin-2-yl)methyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24640661
1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(3-bromophenyl)thiourea
CID 9235708
1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(2-phenylbutyl)urea
CID 56518950
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
CID 56518953
1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea
CID 97453495
1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea?
The IUPAC name of 1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea (CID 56519340) is 1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea?
The canonical SMILES for 1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea is Cc1nc(-c2cccc(NC(=O)NCC3CN(Cc4ccccc4)CCO3)c2)n[nH]1.
What is the InChIKey of 1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea?
The InChIKey is DALMCMXHFRMBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-16-24-21(27-26-16)18-8-5-9-19(12-18)25-22(29)23-13-20-15-28(10-11-30-20)14-17-6-3-2-4-7-17/h2-9,12,20H,10-11,13-15H2,1H3,(H2,23,25,29)(H,24,26,27).
What are the key properties of 1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea?
1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea has a molecular weight of 406.49 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea is sourced from PubChem (CID 56519340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).