1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]urea

C12H19N7O2 — CID 46999823

IUPAC1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCCc1noc(CCNC(=O)Nc2nc(CC)n(C)n2)n1
InChIInChI=1S/C12H19N7O2/c1-4-8-14-10(21-18-8)6-7-13-12(20)16-11-15-9(5-2)19(3)17-11/h4-7H2,1-3H3,(H2,13,16,17,20)
InChIKeyPKOPWDRKMNHNSV-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.69
Rot. Bonds6

About 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]urea

1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]urea (PubChem CID 46999823) has the molecular formula C12H19N7O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]urea
PubChem CID46999823
Molecular FormulaC12H19N7O2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Name1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCCc1noc(CCNC(=O)Nc2nc(CC)n(C)n2)n1
InChIInChI=1S/C12H19N7O2/c1-4-8-14-10(21-18-8)6-7-13-12(20)16-11-15-9(5-2)19(3)17-11/h4-7H2,1-3H3,(H2,13,16,17,20)
InChIKeyPKOPWDRKMNHNSV-UHFFFAOYSA-N
XLogP0.69
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]urea with MolForge

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Related Compounds

3-(5-methyl-1H-tetrazol-1-yl)-N-{2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl}propanamide
CID 118769952
N-[2-(5-ethyltetrazol-2-yl)ethyl]-3-methyl-3-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 90934878
2-(3-Tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine;ethane;2-(5-ethyltetrazol-2-yl)ethanamine
CID 144047774
3-Methyl-5-[1-(1-methyl-5-propan-2-yltetrazol-1-ium-2-yl)propan-2-yl]-1,2,4-oxadiazole
CID 170084240
5-[1-(3,5-Dimethyl-1,2,4-triazol-1-yl)propan-2-yl]-3-propyl-1,2,4-oxadiazole
CID 45171977
N'-(1-butyl-1H-tetrazol-5-yl)-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylurea
CID 46996317
3-(5-Ethyl-1-methyl-1,2,4-triazol-3-yl)-1-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 46998212
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-carboxamide
CID 60213817
N-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 62327950
N-cyclohexyl-2-[5-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 72019885
N-[2-(3-Cyclopropyl-1,2,4-oxadiazol-5-YL)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine
CID 72926181
N-[2-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1H-tetrazol-1-yl)propanamide
CID 91838094

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The IUPAC name of 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]urea (CID 46999823) is 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The canonical SMILES for 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]urea is CCc1noc(CCNC(=O)Nc2nc(CC)n(C)n2)n1.
What is the InChIKey of 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The InChIKey is PKOPWDRKMNHNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O2/c1-4-8-14-10(21-18-8)6-7-13-12(20)16-11-15-9(5-2)19(3)17-11/h4-7H2,1-3H3,(H2,13,16,17,20).
What are the key properties of 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]urea has a molecular weight of 293.33 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]urea is sourced from PubChem (CID 46999823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).