1-[1-(2-methoxyethyl)indol-5-yl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea

C16H20N6O2 — CID 71992317

IUPAC1-[1-(2-methoxyethyl)indol-5-yl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCOCCn1ccc2cc(NC(=O)NCc3ncnn3C)ccc21
InChIInChI=1S/C16H20N6O2/c1-21-15(18-11-19-21)10-17-16(23)20-13-3-4-14-12(9-13)5-6-22(14)7-8-24-2/h3-6,9,11H,7-8,10H2,1-2H3,(H2,17,20,23)
InChIKeyDQAFIONIFAHFOF-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.74
Rot. Bonds6

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

1-[1-(2-methoxyethyl)indol-5-yl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea (PubChem CID 71992317) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)indol-5-yl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)indol-5-yl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
PubChem CID71992317
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name1-[1-(2-methoxyethyl)indol-5-yl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCOCCn1ccc2cc(NC(=O)NCc3ncnn3C)ccc21
InChIInChI=1S/C16H20N6O2/c1-21-15(18-11-19-21)10-17-16(23)20-13-3-4-14-12(9-13)5-6-22(14)7-8-24-2/h3-6,9,11H,7-8,10H2,1-2H3,(H2,17,20,23)
InChIKeyDQAFIONIFAHFOF-UHFFFAOYSA-N
XLogP1.74
TPSA86.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)indol-5-yl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea?
The IUPAC name of 1-[1-(2-methoxyethyl)indol-5-yl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea (CID 71992317) is 1-[1-(2-methoxyethyl)indol-5-yl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[1-(2-methoxyethyl)indol-5-yl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea?
The canonical SMILES for 1-[1-(2-methoxyethyl)indol-5-yl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea is COCCn1ccc2cc(NC(=O)NCc3ncnn3C)ccc21.
What is the InChIKey of 1-[1-(2-methoxyethyl)indol-5-yl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea?
The InChIKey is DQAFIONIFAHFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-21-15(18-11-19-21)10-17-16(23)20-13-3-4-14-12(9-13)5-6-22(14)7-8-24-2/h3-6,9,11H,7-8,10H2,1-2H3,(H2,17,20,23).
What are the key properties of 1-[1-(2-methoxyethyl)indol-5-yl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea?
1-[1-(2-methoxyethyl)indol-5-yl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea has a molecular weight of 328.38 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)indol-5-yl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea is sourced from PubChem (CID 71992317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).