1-ethyl-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea

C12H20N4O — CID 71808360

IUPAC1-ethyl-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea
SMILESCCNC(=O)NCc1nn(C)c2c1CCCC2
InChIInChI=1S/C12H20N4O/c1-3-13-12(17)14-8-10-9-6-4-5-7-11(9)16(2)15-10/h3-8H2,1-2H3,(H2,13,14,17)
InChIKeyUUOPRJBXCAAHGJ-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.12
Rot. Bonds3

About 1-ethyl-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea

1-ethyl-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea (PubChem CID 71808360) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-ethyl-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea
PubChem CID71808360
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-ethyl-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea
SMILESCCNC(=O)NCc1nn(C)c2c1CCCC2
InChIInChI=1S/C12H20N4O/c1-3-13-12(17)14-8-10-9-6-4-5-7-11(9)16(2)15-10/h3-8H2,1-2H3,(H2,13,14,17)
InChIKeyUUOPRJBXCAAHGJ-UHFFFAOYSA-N
XLogP1.12
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea?
The IUPAC name of 1-ethyl-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea (CID 71808360) is 1-ethyl-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea.
What is the SMILES notation for 1-ethyl-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea?
The canonical SMILES for 1-ethyl-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea is CCNC(=O)NCc1nn(C)c2c1CCCC2.
What is the InChIKey of 1-ethyl-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea?
The InChIKey is UUOPRJBXCAAHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-13-12(17)14-8-10-9-6-4-5-7-11(9)16(2)15-10/h3-8H2,1-2H3,(H2,13,14,17).
What are the key properties of 1-ethyl-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea?
1-ethyl-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea has a molecular weight of 236.32 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea is sourced from PubChem (CID 71808360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).