1-(3-chloro-4-methoxyphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea

C12H14ClN5O2 — CID 75400110

IUPAC1-(3-chloro-4-methoxyphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NC(C)c2ncn[nH]2)cc1Cl
InChIInChI=1S/C12H14ClN5O2/c1-7(11-14-6-15-18-11)16-12(19)17-8-3-4-10(20-2)9(13)5-8/h3-7H,1-2H3,(H,14,15,18)(H2,16,17,19)
InChIKeyONPIOFXHQRVDRA-UHFFFAOYSA-N
MW295.73 g/mol
LogP2.35
Rot. Bonds4

About 1-(3-chloro-4-methoxyphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea

1-(3-chloro-4-methoxyphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea (PubChem CID 75400110) has the molecular formula C12H14ClN5O2 and a molecular weight of 295.73 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
PubChem CID75400110
Molecular FormulaC12H14ClN5O2
Molecular Weight295.73 g/mol
Exact Mass295.08
IUPAC Name1-(3-chloro-4-methoxyphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NC(C)c2ncn[nH]2)cc1Cl
InChIInChI=1S/C12H14ClN5O2/c1-7(11-14-6-15-18-11)16-12(19)17-8-3-4-10(20-2)9(13)5-8/h3-7H,1-2H3,(H,14,15,18)(H2,16,17,19)
InChIKeyONPIOFXHQRVDRA-UHFFFAOYSA-N
XLogP2.35
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-4-methoxyphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea (CID 75400110) is 1-(3-chloro-4-methoxyphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea is COc1ccc(NC(=O)NC(C)c2ncn[nH]2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The InChIKey is ONPIOFXHQRVDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O2/c1-7(11-14-6-15-18-11)16-12(19)17-8-3-4-10(20-2)9(13)5-8/h3-7H,1-2H3,(H,14,15,18)(H2,16,17,19).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
1-(3-chloro-4-methoxyphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea has a molecular weight of 295.73 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea is sourced from PubChem (CID 75400110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).