1-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea

C10H10ClN5O2 — CID 971074

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nn1cnnc1
InChIInChI=1S/C10H10ClN5O2/c1-18-9-3-2-7(11)4-8(9)14-10(17)15-16-5-12-13-6-16/h2-6H,1H3,(H2,14,15,17)
InChIKeyYRTZUOPCTIMFHZ-UHFFFAOYSA-N
MW267.68 g/mol
LogP1.72
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea

1-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea (PubChem CID 971074) has the molecular formula C10H10ClN5O2 and a molecular weight of 267.68 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea
PubChem CID971074
Molecular FormulaC10H10ClN5O2
Molecular Weight267.68 g/mol
Exact Mass267.05
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nn1cnnc1
InChIInChI=1S/C10H10ClN5O2/c1-18-9-3-2-7(11)4-8(9)14-10(17)15-16-5-12-13-6-16/h2-6H,1H3,(H2,14,15,17)
InChIKeyYRTZUOPCTIMFHZ-UHFFFAOYSA-N
XLogP1.72
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea
CID 971791
N-(5-chloro-2-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 9552045
1-(2-Ethoxyphenyl)-3-(1,2,4-triazol-4-yl)urea
CID 24819059
2-(2,3-dichlorophenyl)-N-(2-methoxyphenyl)-1,2,4-triazol-3-amine
CID 44453869
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide
CID 9119281
1-(3-Methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea
CID 24819570
1-(5-chloro-2-methoxyphenyl)-1H-tetrazole
CID 856074
1-(2-Methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea
CID 2103176
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 9552027
N-(5-chloro-2-ethoxyphenyl)-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 53577910
N-(5-chloro-2-methoxyphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
CID 779326
N-(5-chloro-2-methoxyphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
CID 757120

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea (CID 971074) is 1-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea is COc1ccc(Cl)cc1NC(=O)Nn1cnnc1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea?
The InChIKey is YRTZUOPCTIMFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O2/c1-18-9-3-2-7(11)4-8(9)14-10(17)15-16-5-12-13-6-16/h2-6H,1H3,(H2,14,15,17).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea?
1-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea has a molecular weight of 267.68 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-4-yl)urea is sourced from PubChem (CID 971074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).