N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]acetamide

C12H20N4O — CID 43254668

IUPACN-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNC1CCCc2c1cnn2C
InChIInChI=1S/C12H20N4O/c1-9(17)13-6-7-14-11-4-3-5-12-10(11)8-15-16(12)2/h8,11,14H,3-7H2,1-2H3,(H,13,17)
InChIKeyWKSHJPKWGDZPLL-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.52
Rot. Bonds4

About N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]acetamide

N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]acetamide (PubChem CID 43254668) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]acetamide
PubChem CID43254668
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNC1CCCc2c1cnn2C
InChIInChI=1S/C12H20N4O/c1-9(17)13-6-7-14-11-4-3-5-12-10(11)8-15-16(12)2/h8,11,14H,3-7H2,1-2H3,(H,13,17)
InChIKeyWKSHJPKWGDZPLL-UHFFFAOYSA-N
XLogP0.52
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]acetamide (CID 43254668) is N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]acetamide is CC(=O)NCCNC1CCCc2c1cnn2C.
What is the InChIKey of N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]acetamide?
The InChIKey is WKSHJPKWGDZPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(17)13-6-7-14-11-4-3-5-12-10(11)8-15-16(12)2/h8,11,14H,3-7H2,1-2H3,(H,13,17).
What are the key properties of N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]acetamide?
N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]acetamide has a molecular weight of 236.32 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]acetamide is sourced from PubChem (CID 43254668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).