1-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-3-phenylurea

C20H21N5O2 — CID 121078011

IUPAC1-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-3-phenylurea
SMILESO=C(NCCn1nc(-c2ccccc2)n(C2CC2)c1=O)Nc1ccccc1
InChIInChI=1S/C20H21N5O2/c26-19(22-16-9-5-2-6-10-16)21-13-14-24-20(27)25(17-11-12-17)18(23-24)15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H2,21,22,26)
InChIKeyCTCCVSAAOWJRBK-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.87
Rot. Bonds6

About 1-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-3-phenylurea

1-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-3-phenylurea (PubChem CID 121078011) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-3-phenylurea
PubChem CID121078011
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name1-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-3-phenylurea
SMILESO=C(NCCn1nc(-c2ccccc2)n(C2CC2)c1=O)Nc1ccccc1
InChIInChI=1S/C20H21N5O2/c26-19(22-16-9-5-2-6-10-16)21-13-14-24-20(27)25(17-11-12-17)18(23-24)15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H2,21,22,26)
InChIKeyCTCCVSAAOWJRBK-UHFFFAOYSA-N
XLogP2.87
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-3-(4-methoxyphenyl)urea
CID 121078009
1-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(4-fluorophenyl)urea
CID 121078071
1-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 121078008
N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide
CID 121078383
1-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-3-(4-methylphenyl)urea
CID 121078218
N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 121078381
1-[2-[4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 121078280
1-benzhydryl-3-[2-[4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]urea
CID 121078136
1-(2-chlorophenyl)-3-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]urea
CID 121078224
1-(3-chlorophenyl)-3-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]urea
CID 90541818
1-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(3,4-dichlorophenyl)urea
CID 121116320
N-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2,6-difluorobenzamide
CID 121078571

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-3-phenylurea?
The IUPAC name of 1-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-3-phenylurea (CID 121078011) is 1-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-3-phenylurea is O=C(NCCn1nc(-c2ccccc2)n(C2CC2)c1=O)Nc1ccccc1.
What is the InChIKey of 1-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-3-phenylurea?
The InChIKey is CTCCVSAAOWJRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-19(22-16-9-5-2-6-10-16)21-13-14-24-20(27)25(17-11-12-17)18(23-24)15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H2,21,22,26).
What are the key properties of 1-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-3-phenylurea?
1-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-3-phenylurea has a molecular weight of 363.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-3-phenylurea is sourced from PubChem (CID 121078011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).