1-[(4-methoxyphenyl)methyl]-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)urea

C15H21N5O2 — CID 46983223

IUPAC1-[(4-methoxyphenyl)methyl]-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)urea
SMILESCOc1ccc(CNC(=O)Nc2nc(C)n(C(C)C)n2)cc1
InChIInChI=1S/C15H21N5O2/c1-10(2)20-11(3)17-14(19-20)18-15(21)16-9-12-5-7-13(22-4)8-6-12/h5-8,10H,9H2,1-4H3,(H2,16,18,19,21)
InChIKeyLGNPQZLSHLWRIX-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.50
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)urea

1-[(4-methoxyphenyl)methyl]-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)urea (PubChem CID 46983223) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)urea
PubChem CID46983223
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)urea
SMILESCOc1ccc(CNC(=O)Nc2nc(C)n(C(C)C)n2)cc1
InChIInChI=1S/C15H21N5O2/c1-10(2)20-11(3)17-14(19-20)18-15(21)16-9-12-5-7-13(22-4)8-6-12/h5-8,10H,9H2,1-4H3,(H2,16,18,19,21)
InChIKeyLGNPQZLSHLWRIX-UHFFFAOYSA-N
XLogP2.50
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
CID 47235934
1-[4-[(1S)-1-aminoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824997
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 156825217
1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868159
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
N-[(4-methoxyphenyl)methyl]-2-(3-methylindazol-1-yl)propanamide
CID 3342933
1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 17379696
methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate
CID 34667949
1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 3407219
1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 166706407
1-(5-bromo-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868273

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)urea (CID 46983223) is 1-[(4-methoxyphenyl)methyl]-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)urea is COc1ccc(CNC(=O)Nc2nc(C)n(C(C)C)n2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)urea?
The InChIKey is LGNPQZLSHLWRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-10(2)20-11(3)17-14(19-20)18-15(21)16-9-12-5-7-13(22-4)8-6-12/h5-8,10H,9H2,1-4H3,(H2,16,18,19,21).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)urea?
1-[(4-methoxyphenyl)methyl]-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)urea has a molecular weight of 303.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)urea is sourced from PubChem (CID 46983223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).