3-(1-ethyl-1,2,4-triazol-3-yl)-1-[(4-methoxyphenyl)methyl]-1-methylurea

C14H19N5O2 — CID 46988695

IUPAC3-(1-ethyl-1,2,4-triazol-3-yl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
SMILESCCn1cnc(NC(=O)N(C)Cc2ccc(OC)cc2)n1
InChIInChI=1S/C14H19N5O2/c1-4-19-10-15-13(17-19)16-14(20)18(2)9-11-5-7-12(21-3)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,16,17,20)
InChIKeyUQSCXNHNMWADME-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.97
Rot. Bonds5

About 3-(1-ethyl-1,2,4-triazol-3-yl)-1-[(4-methoxyphenyl)methyl]-1-methylurea

3-(1-ethyl-1,2,4-triazol-3-yl)-1-[(4-methoxyphenyl)methyl]-1-methylurea (PubChem CID 46988695) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(1-ethyl-1,2,4-triazol-3-yl)-1-[(4-methoxyphenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-(1-ethyl-1,2,4-triazol-3-yl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
PubChem CID46988695
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-(1-ethyl-1,2,4-triazol-3-yl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
SMILESCCn1cnc(NC(=O)N(C)Cc2ccc(OC)cc2)n1
InChIInChI=1S/C14H19N5O2/c1-4-19-10-15-13(17-19)16-14(20)18(2)9-11-5-7-12(21-3)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,16,17,20)
InChIKeyUQSCXNHNMWADME-UHFFFAOYSA-N
XLogP1.97
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethyl-1,2,4-triazol-3-yl)-1-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 46986444
1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
CID 115575178
3-[2-(dimethylamino)phenyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 86988400
3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 61418141
3-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 46997417
2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 79791741
3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-N,N-dimethylpropanamide
CID 87007745
N,N-diethyl-4-[[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide
CID 55795743
1-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 86987050
2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 61417680
3-chloro-N-[(4-methoxyphenyl)methyl-methylcarbamoyl]propanamide
CID 61418008
1-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-nitrophenyl)urea
CID 17408467

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-1,2,4-triazol-3-yl)-1-[(4-methoxyphenyl)methyl]-1-methylurea?
The IUPAC name of 3-(1-ethyl-1,2,4-triazol-3-yl)-1-[(4-methoxyphenyl)methyl]-1-methylurea (CID 46988695) is 3-(1-ethyl-1,2,4-triazol-3-yl)-1-[(4-methoxyphenyl)methyl]-1-methylurea.
What is the SMILES notation for 3-(1-ethyl-1,2,4-triazol-3-yl)-1-[(4-methoxyphenyl)methyl]-1-methylurea?
The canonical SMILES for 3-(1-ethyl-1,2,4-triazol-3-yl)-1-[(4-methoxyphenyl)methyl]-1-methylurea is CCn1cnc(NC(=O)N(C)Cc2ccc(OC)cc2)n1.
What is the InChIKey of 3-(1-ethyl-1,2,4-triazol-3-yl)-1-[(4-methoxyphenyl)methyl]-1-methylurea?
The InChIKey is UQSCXNHNMWADME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-19-10-15-13(17-19)16-14(20)18(2)9-11-5-7-12(21-3)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,16,17,20).
What are the key properties of 3-(1-ethyl-1,2,4-triazol-3-yl)-1-[(4-methoxyphenyl)methyl]-1-methylurea?
3-(1-ethyl-1,2,4-triazol-3-yl)-1-[(4-methoxyphenyl)methyl]-1-methylurea has a molecular weight of 289.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-1,2,4-triazol-3-yl)-1-[(4-methoxyphenyl)methyl]-1-methylurea is sourced from PubChem (CID 46988695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).