1,1-dimethyl-3-(1-methylindazol-4-yl)urea

C11H14N4O — CID 171763124

IUPAC1,1-dimethyl-3-(1-methylindazol-4-yl)urea
SMILESCN(C)C(=O)Nc1cccc2c1cnn2C
InChIInChI=1S/C11H14N4O/c1-14(2)11(16)13-9-5-4-6-10-8(9)7-12-15(10)3/h4-7H,1-3H3,(H,13,16)
InChIKeyPYWKZISQWIOMFS-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.67
Rot. Bonds1

About 1,1-dimethyl-3-(1-methylindazol-4-yl)urea

1,1-dimethyl-3-(1-methylindazol-4-yl)urea (PubChem CID 171763124) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1,1-dimethyl-3-(1-methylindazol-4-yl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(1-methylindazol-4-yl)urea
PubChem CID171763124
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1,1-dimethyl-3-(1-methylindazol-4-yl)urea
SMILESCN(C)C(=O)Nc1cccc2c1cnn2C
InChIInChI=1S/C11H14N4O/c1-14(2)11(16)13-9-5-4-6-10-8(9)7-12-15(10)3/h4-7H,1-3H3,(H,13,16)
InChIKeyPYWKZISQWIOMFS-UHFFFAOYSA-N
XLogP1.67
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(1-methylindazol-4-yl)urea?
The IUPAC name of 1,1-dimethyl-3-(1-methylindazol-4-yl)urea (CID 171763124) is 1,1-dimethyl-3-(1-methylindazol-4-yl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(1-methylindazol-4-yl)urea?
The canonical SMILES for 1,1-dimethyl-3-(1-methylindazol-4-yl)urea is CN(C)C(=O)Nc1cccc2c1cnn2C.
What is the InChIKey of 1,1-dimethyl-3-(1-methylindazol-4-yl)urea?
The InChIKey is PYWKZISQWIOMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-14(2)11(16)13-9-5-4-6-10-8(9)7-12-15(10)3/h4-7H,1-3H3,(H,13,16).
What are the key properties of 1,1-dimethyl-3-(1-methylindazol-4-yl)urea?
1,1-dimethyl-3-(1-methylindazol-4-yl)urea has a molecular weight of 218.26 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(1-methylindazol-4-yl)urea is sourced from PubChem (CID 171763124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).