3-(1H-indazol-5-yl)-1,1-dimethylurea

C10H12N4O — CID 70683491

IUPAC3-(1H-indazol-5-yl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C10H12N4O/c1-14(2)10(15)12-8-3-4-9-7(5-8)6-11-13-9/h3-6H,1-2H3,(H,11,13)(H,12,15)
InChIKeyVRTSOZFXYQSPEK-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.66
Rot. Bonds1

About 3-(1H-indazol-5-yl)-1,1-dimethylurea

3-(1H-indazol-5-yl)-1,1-dimethylurea (PubChem CID 70683491) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(1H-indazol-5-yl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(1H-indazol-5-yl)-1,1-dimethylurea
PubChem CID70683491
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-(1H-indazol-5-yl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C10H12N4O/c1-14(2)10(15)12-8-3-4-9-7(5-8)6-11-13-9/h3-6H,1-2H3,(H,11,13)(H,12,15)
InChIKeyVRTSOZFXYQSPEK-UHFFFAOYSA-N
XLogP1.66
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-5-yl)-1,1-dimethylurea?
The IUPAC name of 3-(1H-indazol-5-yl)-1,1-dimethylurea (CID 70683491) is 3-(1H-indazol-5-yl)-1,1-dimethylurea.
What is the SMILES notation for 3-(1H-indazol-5-yl)-1,1-dimethylurea?
The canonical SMILES for 3-(1H-indazol-5-yl)-1,1-dimethylurea is CN(C)C(=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 3-(1H-indazol-5-yl)-1,1-dimethylurea?
The InChIKey is VRTSOZFXYQSPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-14(2)10(15)12-8-3-4-9-7(5-8)6-11-13-9/h3-6H,1-2H3,(H,11,13)(H,12,15).
What are the key properties of 3-(1H-indazol-5-yl)-1,1-dimethylurea?
3-(1H-indazol-5-yl)-1,1-dimethylurea has a molecular weight of 204.23 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-5-yl)-1,1-dimethylurea is sourced from PubChem (CID 70683491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).