1-[(E)-2-cyclopropylethenyl]-3-(1H-indazol-6-yl)urea

C13H14N4O — CID 108915904

IUPAC1-[(E)-2-cyclopropylethenyl]-3-(1H-indazol-6-yl)urea
SMILESO=C(N/C=C/C1CC1)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C13H14N4O/c18-13(14-6-5-9-1-2-9)16-11-4-3-10-8-15-17-12(10)7-11/h3-9H,1-2H2,(H,15,17)(H2,14,16,18)/b6-5+
InChIKeyDZPFGHOZJWJTKU-AATRIKPKSA-N
MW242.28 g/mol
LogP2.61
Rot. Bonds3

About 1-[(E)-2-cyclopropylethenyl]-3-(1H-indazol-6-yl)urea

1-[(E)-2-cyclopropylethenyl]-3-(1H-indazol-6-yl)urea (PubChem CID 108915904) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-[(E)-2-cyclopropylethenyl]-3-(1H-indazol-6-yl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopropylethenyl]-3-(1H-indazol-6-yl)urea
PubChem CID108915904
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name1-[(E)-2-cyclopropylethenyl]-3-(1H-indazol-6-yl)urea
SMILESO=C(N/C=C/C1CC1)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C13H14N4O/c18-13(14-6-5-9-1-2-9)16-11-4-3-10-8-15-17-12(10)7-11/h3-9H,1-2H2,(H,15,17)(H2,14,16,18)/b6-5+
InChIKeyDZPFGHOZJWJTKU-AATRIKPKSA-N
XLogP2.61
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopropylethenyl]-3-(1H-indazol-6-yl)urea?
The IUPAC name of 1-[(E)-2-cyclopropylethenyl]-3-(1H-indazol-6-yl)urea (CID 108915904) is 1-[(E)-2-cyclopropylethenyl]-3-(1H-indazol-6-yl)urea.
What is the SMILES notation for 1-[(E)-2-cyclopropylethenyl]-3-(1H-indazol-6-yl)urea?
The canonical SMILES for 1-[(E)-2-cyclopropylethenyl]-3-(1H-indazol-6-yl)urea is O=C(N/C=C/C1CC1)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 1-[(E)-2-cyclopropylethenyl]-3-(1H-indazol-6-yl)urea?
The InChIKey is DZPFGHOZJWJTKU-AATRIKPKSA-N. The full InChI is InChI=1S/C13H14N4O/c18-13(14-6-5-9-1-2-9)16-11-4-3-10-8-15-17-12(10)7-11/h3-9H,1-2H2,(H,15,17)(H2,14,16,18)/b6-5+.
What are the key properties of 1-[(E)-2-cyclopropylethenyl]-3-(1H-indazol-6-yl)urea?
1-[(E)-2-cyclopropylethenyl]-3-(1H-indazol-6-yl)urea has a molecular weight of 242.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopropylethenyl]-3-(1H-indazol-6-yl)urea is sourced from PubChem (CID 108915904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).