1-[2-(4-methoxyphenoxy)ethyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea

C18H20N6O3 — CID 55744071

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
SMILESCOc1ccc(OCCNC(=O)NCc2cccnc2-n2cncn2)cc1
InChIInChI=1S/C18H20N6O3/c1-26-15-4-6-16(7-5-15)27-10-9-21-18(25)22-11-14-3-2-8-20-17(14)24-13-19-12-23-24/h2-8,12-13H,9-11H2,1H3,(H2,21,22,25)
InChIKeyIYKKPWUBUVSPTK-UHFFFAOYSA-N
MW368.40 g/mol
LogP1.55
Rot. Bonds8

About 1-[2-(4-methoxyphenoxy)ethyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea

1-[2-(4-methoxyphenoxy)ethyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea (PubChem CID 55744071) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
PubChem CID55744071
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
SMILESCOc1ccc(OCCNC(=O)NCc2cccnc2-n2cncn2)cc1
InChIInChI=1S/C18H20N6O3/c1-26-15-4-6-16(7-5-15)27-10-9-21-18(25)22-11-14-3-2-8-20-17(14)24-13-19-12-23-24/h2-8,12-13H,9-11H2,1H3,(H2,21,22,25)
InChIKeyIYKKPWUBUVSPTK-UHFFFAOYSA-N
XLogP1.55
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(4-methoxyphenoxy)ethyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea with MolForge

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Related Compounds

1-[(2,5-dimethoxyphenyl)methyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 55747504
1-[(2S)-3-methylbutan-2-yl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 94027698
N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 38450679
methyl 3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoylamino]benzoate
CID 47040063
1-(3-butoxypropyl)-3-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 60616709
1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108897731
1-[4-(4-hydroxyphenyl)butan-2-yl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 55793387
1-[(4-thiomorpholin-4-ylphenyl)methyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 55799522
3-(2-ethoxyphenyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 55720357
4-methoxy-3-nitro-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 55721166
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 51092114
N-[4-methyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoylamino]phenyl]propanamide
CID 55743521

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea (CID 55744071) is 1-[2-(4-methoxyphenoxy)ethyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea is COc1ccc(OCCNC(=O)NCc2cccnc2-n2cncn2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea?
The InChIKey is IYKKPWUBUVSPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-26-15-4-6-16(7-5-15)27-10-9-21-18(25)22-11-14-3-2-8-20-17(14)24-13-19-12-23-24/h2-8,12-13H,9-11H2,1H3,(H2,21,22,25).
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea?
1-[2-(4-methoxyphenoxy)ethyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea has a molecular weight of 368.40 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 55744071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).