1-(3-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea

C10H11N5O2 — CID 24819570

IUPAC1-(3-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea
SMILESCOc1cccc(NC(=O)Nn2cnnc2)c1
InChIInChI=1S/C10H11N5O2/c1-17-9-4-2-3-8(5-9)13-10(16)14-15-6-11-12-7-15/h2-7H,1H3,(H2,13,14,16)
InChIKeyROQPAVLQIUQMIK-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.06
Rot. Bonds3

About 1-(3-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea

1-(3-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea (PubChem CID 24819570) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea
PubChem CID24819570
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name1-(3-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea
SMILESCOc1cccc(NC(=O)Nn2cnnc2)c1
InChIInChI=1S/C10H11N5O2/c1-17-9-4-2-3-8(5-9)13-10(16)14-15-6-11-12-7-15/h2-7H,1H3,(H2,13,14,16)
InChIKeyROQPAVLQIUQMIK-UHFFFAOYSA-N
XLogP1.06
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Methoxy-phenyl)-1H-tetrazole
CID 856021
N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea
CID 971791
1-(1,2,4-Triazol-4-yl)-3-(3,4,5-trimethoxyphenyl)urea
CID 2314834
1-(2-Methoxy-4-nitrophenyl)-3-(1,2,4-triazol-4-yl)urea
CID 2957350
1-(2-Methoxy-4-nitrophenyl)-3-(1,2,4-triazol-4-yl)thiourea
CID 17374362
2-(4-Amino-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(3-ethoxy-phenyl)-acetamide
CID 653782
N-(3,4-dimethoxyphenyl)-N'-4H-1,2,4-triazol-4-ylthiourea
CID 970360
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
1-(3,4-Dimethoxyphenyl)-3-(1,2,4-triazol-4-yl)urea
CID 970134
3-methoxy-5-(1H-tetrazol-1-yl)aniline
CID 4913144
N-(3-methoxyphenyl)-1H-1,2,4-triazole-3-carboxamide
CID 741074

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea (CID 24819570) is 1-(3-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea is COc1cccc(NC(=O)Nn2cnnc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea?
The InChIKey is ROQPAVLQIUQMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-17-9-4-2-3-8(5-9)13-10(16)14-15-6-11-12-7-15/h2-7H,1H3,(H2,13,14,16).
What are the key properties of 1-(3-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea?
1-(3-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea has a molecular weight of 233.23 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea is sourced from PubChem (CID 24819570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).