1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(2-phenyloxan-4-yl)urea

C17H23N5O2 — CID 75523195

IUPAC1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(2-phenyloxan-4-yl)urea
SMILESCCn1cnnc1CNC(=O)NC1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H23N5O2/c1-2-22-12-19-21-16(22)11-18-17(23)20-14-8-9-24-15(10-14)13-6-4-3-5-7-13/h3-7,12,14-15H,2,8-11H2,1H3,(H2,18,20,23)
InChIKeyFJMBDYUPIXRPGW-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.02
Rot. Bonds5

About 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(2-phenyloxan-4-yl)urea

1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(2-phenyloxan-4-yl)urea (PubChem CID 75523195) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(2-phenyloxan-4-yl)urea.

Molecular Properties

Compound Name1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(2-phenyloxan-4-yl)urea
PubChem CID75523195
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(2-phenyloxan-4-yl)urea
SMILESCCn1cnnc1CNC(=O)NC1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H23N5O2/c1-2-22-12-19-21-16(22)11-18-17(23)20-14-8-9-24-15(10-14)13-6-4-3-5-7-13/h3-7,12,14-15H,2,8-11H2,1H3,(H2,18,20,23)
InChIKeyFJMBDYUPIXRPGW-UHFFFAOYSA-N
XLogP2.02
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-fluorophenyl)morpholine-4-carboxamide
CID 45832006
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide
CID 51084731
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-phenylmethoxypiperidine-1-carboxamide
CID 53505391
2-(4-chlorophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 53529486
1-[3-(4-Methylphenoxy)propyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53554502
1-[4-(4-Methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-phenylmethoxybutan-1-one
CID 53560144
N-(2-benzhydryloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 53586118
1-[2-(2-Methoxyphenyl)ethyl]-1-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53595268
2-(2-chlorophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 53612380
N-(2-methoxy-2-phenylethyl)-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 53622240
1-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 72142872
benzyl 4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 91618246

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(2-phenyloxan-4-yl)urea?
The IUPAC name of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(2-phenyloxan-4-yl)urea (CID 75523195) is 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(2-phenyloxan-4-yl)urea.
What is the SMILES notation for 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(2-phenyloxan-4-yl)urea?
The canonical SMILES for 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(2-phenyloxan-4-yl)urea is CCn1cnnc1CNC(=O)NC1CCOC(c2ccccc2)C1.
What is the InChIKey of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(2-phenyloxan-4-yl)urea?
The InChIKey is FJMBDYUPIXRPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-2-22-12-19-21-16(22)11-18-17(23)20-14-8-9-24-15(10-14)13-6-4-3-5-7-13/h3-7,12,14-15H,2,8-11H2,1H3,(H2,18,20,23).
What are the key properties of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(2-phenyloxan-4-yl)urea?
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(2-phenyloxan-4-yl)urea has a molecular weight of 329.40 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(2-phenyloxan-4-yl)urea is sourced from PubChem (CID 75523195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).