N-(1-hydroxy-4,5,6,7-tetrahydroindazol-3-yl)acetamide

C9H13N3O2 — CID 137399483

IUPACN-(1-hydroxy-4,5,6,7-tetrahydroindazol-3-yl)acetamide
SMILESCC(=O)Nc1nn(O)c2c1CCCC2
InChIInChI=1S/C9H13N3O2/c1-6(13)10-9-7-4-2-3-5-8(7)12(14)11-9/h14H,2-5H2,1H3,(H,10,11,13)
InChIKeyKVPSNXBXPFWMCM-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.96
Rot. Bonds1

About N-(1-hydroxy-4,5,6,7-tetrahydroindazol-3-yl)acetamide

N-(1-hydroxy-4,5,6,7-tetrahydroindazol-3-yl)acetamide (PubChem CID 137399483) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-(1-hydroxy-4,5,6,7-tetrahydroindazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-4,5,6,7-tetrahydroindazol-3-yl)acetamide
PubChem CID137399483
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-(1-hydroxy-4,5,6,7-tetrahydroindazol-3-yl)acetamide
SMILESCC(=O)Nc1nn(O)c2c1CCCC2
InChIInChI=1S/C9H13N3O2/c1-6(13)10-9-7-4-2-3-5-8(7)12(14)11-9/h14H,2-5H2,1H3,(H,10,11,13)
InChIKeyKVPSNXBXPFWMCM-UHFFFAOYSA-N
XLogP0.96
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4,5,6,7-tetrahydroindazol-3-yl)acetamide?
The IUPAC name of N-(1-hydroxy-4,5,6,7-tetrahydroindazol-3-yl)acetamide (CID 137399483) is N-(1-hydroxy-4,5,6,7-tetrahydroindazol-3-yl)acetamide.
What is the SMILES notation for N-(1-hydroxy-4,5,6,7-tetrahydroindazol-3-yl)acetamide?
The canonical SMILES for N-(1-hydroxy-4,5,6,7-tetrahydroindazol-3-yl)acetamide is CC(=O)Nc1nn(O)c2c1CCCC2.
What is the InChIKey of N-(1-hydroxy-4,5,6,7-tetrahydroindazol-3-yl)acetamide?
The InChIKey is KVPSNXBXPFWMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(13)10-9-7-4-2-3-5-8(7)12(14)11-9/h14H,2-5H2,1H3,(H,10,11,13).
What are the key properties of N-(1-hydroxy-4,5,6,7-tetrahydroindazol-3-yl)acetamide?
N-(1-hydroxy-4,5,6,7-tetrahydroindazol-3-yl)acetamide has a molecular weight of 195.22 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4,5,6,7-tetrahydroindazol-3-yl)acetamide is sourced from PubChem (CID 137399483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).