1-[4-(morpholin-4-ylmethyl)phenyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea

C17H24N6O2 — CID 72868222

IUPAC1-[4-(morpholin-4-ylmethyl)phenyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
SMILESCC(Cn1cncn1)NC(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C17H24N6O2/c1-14(10-23-13-18-12-19-23)20-17(24)21-16-4-2-15(3-5-16)11-22-6-8-25-9-7-22/h2-5,12-14H,6-11H2,1H3,(H2,20,21,24)
InChIKeyAJGWIBGOAZCOFL-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.32
Rot. Bonds6

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

1-[4-(morpholin-4-ylmethyl)phenyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea (PubChem CID 72868222) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[4-(morpholin-4-ylmethyl)phenyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[4-(morpholin-4-ylmethyl)phenyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
PubChem CID72868222
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-[4-(morpholin-4-ylmethyl)phenyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
SMILESCC(Cn1cncn1)NC(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C17H24N6O2/c1-14(10-23-13-18-12-19-23)20-17(24)21-16-4-2-15(3-5-16)11-22-6-8-25-9-7-22/h2-5,12-14H,6-11H2,1H3,(H2,20,21,24)
InChIKeyAJGWIBGOAZCOFL-UHFFFAOYSA-N
XLogP1.32
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 94116750
2-morpholin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
CID 75681051
1-[2-(piperidin-1-ylmethyl)phenyl]-3-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 97284665
3-methyl-2-[[4-(morpholin-4-ylmethyl)phenyl]carbamoylamino]pentanoic acid
CID 4870797
cyclopentyl 4-[[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]carbamoylamino]benzoate
CID 124507477
1-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 124868965
1-[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 124868966
(2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119832107
2-methyl-3-(methylamino)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 79203852
1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 17149107
1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 97455447
1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 95124262

Frequently Asked Questions

What is the IUPAC name of 1-[4-(morpholin-4-ylmethyl)phenyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
The IUPAC name of 1-[4-(morpholin-4-ylmethyl)phenyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea (CID 72868222) is 1-[4-(morpholin-4-ylmethyl)phenyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea.
What is the SMILES notation for 1-[4-(morpholin-4-ylmethyl)phenyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
The canonical SMILES for 1-[4-(morpholin-4-ylmethyl)phenyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea is CC(Cn1cncn1)NC(=O)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 1-[4-(morpholin-4-ylmethyl)phenyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
The InChIKey is AJGWIBGOAZCOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-14(10-23-13-18-12-19-23)20-17(24)21-16-4-2-15(3-5-16)11-22-6-8-25-9-7-22/h2-5,12-14H,6-11H2,1H3,(H2,20,21,24).
What are the key properties of 1-[4-(morpholin-4-ylmethyl)phenyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
1-[4-(morpholin-4-ylmethyl)phenyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea has a molecular weight of 344.42 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(morpholin-4-ylmethyl)phenyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea is sourced from PubChem (CID 72868222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).