1-[2-(1H-indazol-7-yloxy)ethyl]-1-methylurea

C11H14N4O2 — CID 175715455

IUPAC1-[2-(1H-indazol-7-yloxy)ethyl]-1-methylurea
SMILESCN(CCOc1cccc2cn[nH]c12)C(N)=O
InChIInChI=1S/C11H14N4O2/c1-15(11(12)16)5-6-17-9-4-2-3-8-7-13-14-10(8)9/h2-4,7H,5-6H2,1H3,(H2,12,16)(H,13,14)
InChIKeyXZKYUKHDRGSOBW-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.95
Rot. Bonds4

About 1-[2-(1H-indazol-7-yloxy)ethyl]-1-methylurea

1-[2-(1H-indazol-7-yloxy)ethyl]-1-methylurea (PubChem CID 175715455) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-[2-(1H-indazol-7-yloxy)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-[2-(1H-indazol-7-yloxy)ethyl]-1-methylurea
PubChem CID175715455
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name1-[2-(1H-indazol-7-yloxy)ethyl]-1-methylurea
SMILESCN(CCOc1cccc2cn[nH]c12)C(N)=O
InChIInChI=1S/C11H14N4O2/c1-15(11(12)16)5-6-17-9-4-2-3-8-7-13-14-10(8)9/h2-4,7H,5-6H2,1H3,(H2,12,16)(H,13,14)
InChIKeyXZKYUKHDRGSOBW-UHFFFAOYSA-N
XLogP0.95
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indazol-7-yloxy)ethyl]-1-methylurea?
The IUPAC name of 1-[2-(1H-indazol-7-yloxy)ethyl]-1-methylurea (CID 175715455) is 1-[2-(1H-indazol-7-yloxy)ethyl]-1-methylurea.
What is the SMILES notation for 1-[2-(1H-indazol-7-yloxy)ethyl]-1-methylurea?
The canonical SMILES for 1-[2-(1H-indazol-7-yloxy)ethyl]-1-methylurea is CN(CCOc1cccc2cn[nH]c12)C(N)=O.
What is the InChIKey of 1-[2-(1H-indazol-7-yloxy)ethyl]-1-methylurea?
The InChIKey is XZKYUKHDRGSOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-15(11(12)16)5-6-17-9-4-2-3-8-7-13-14-10(8)9/h2-4,7H,5-6H2,1H3,(H2,12,16)(H,13,14).
What are the key properties of 1-[2-(1H-indazol-7-yloxy)ethyl]-1-methylurea?
1-[2-(1H-indazol-7-yloxy)ethyl]-1-methylurea has a molecular weight of 234.26 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indazol-7-yloxy)ethyl]-1-methylurea is sourced from PubChem (CID 175715455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).