1-(2-methoxy-5-methylphenyl)-3-(1,2,4-triazol-4-yl)urea

C11H13N5O2 — CID 971791

IUPAC1-(2-methoxy-5-methylphenyl)-3-(1,2,4-triazol-4-yl)urea
SMILESCOc1ccc(C)cc1NC(=O)Nn1cnnc1
InChIInChI=1S/C11H13N5O2/c1-8-3-4-10(18-2)9(5-8)14-11(17)15-16-6-12-13-7-16/h3-7H,1-2H3,(H2,14,15,17)
InChIKeyWMVVWYCMGLIOCC-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.37
Rot. Bonds3

About 1-(2-methoxy-5-methylphenyl)-3-(1,2,4-triazol-4-yl)urea

1-(2-methoxy-5-methylphenyl)-3-(1,2,4-triazol-4-yl)urea (PubChem CID 971791) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-(1,2,4-triazol-4-yl)urea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-(1,2,4-triazol-4-yl)urea
PubChem CID971791
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-(1,2,4-triazol-4-yl)urea
SMILESCOc1ccc(C)cc1NC(=O)Nn1cnnc1
InChIInChI=1S/C11H13N5O2/c1-8-3-4-10(18-2)9(5-8)14-11(17)15-16-6-12-13-7-16/h3-7H,1-2H3,(H2,14,15,17)
InChIKeyWMVVWYCMGLIOCC-UHFFFAOYSA-N
XLogP1.37
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-5-methylphenyl)-1H-tetrazole
CID 950841
N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide
CID 2559642
N-(5-chloro-2-methoxyphenyl)-N'-4H-1,2,4-triazol-4-ylurea
CID 971074
1-(2-Ethoxyphenyl)-3-(1,2,4-triazol-4-yl)urea
CID 24819059
N-(5-tert-butyl-2-methoxyphenyl)-2-(tetrazol-1-yl)acetamide
CID 2472603
N-(5-tert-butyl-2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2521107
1-(2-ethoxyphenyl)-3-(4H-1,2,4-triazol-4-yl)thiourea
CID 19687026
1-(3-Methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea
CID 24819570
1-(2-Methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea
CID 2103176
N-(5-cyano-2-ethoxyphenyl)-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 53596361
1-(6-Methoxynaphthalen-2-yl)-3-(1,2,4-triazol-4-yl)urea
CID 393653
N-(2-methoxy-5-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2385810

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(1,2,4-triazol-4-yl)urea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(1,2,4-triazol-4-yl)urea (CID 971791) is 1-(2-methoxy-5-methylphenyl)-3-(1,2,4-triazol-4-yl)urea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-(1,2,4-triazol-4-yl)urea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-(1,2,4-triazol-4-yl)urea is COc1ccc(C)cc1NC(=O)Nn1cnnc1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-(1,2,4-triazol-4-yl)urea?
The InChIKey is WMVVWYCMGLIOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-8-3-4-10(18-2)9(5-8)14-11(17)15-16-6-12-13-7-16/h3-7H,1-2H3,(H2,14,15,17).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-(1,2,4-triazol-4-yl)urea?
1-(2-methoxy-5-methylphenyl)-3-(1,2,4-triazol-4-yl)urea has a molecular weight of 247.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-(1,2,4-triazol-4-yl)urea is sourced from PubChem (CID 971791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).