N-(6-fluoro-2-pyridinyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

C13H15FN4 — CID 113234559

IUPACN-(6-fluoro-2-pyridinyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2Nc1cccc(F)n1
InChIInChI=1S/C13H15FN4/c1-18-11-5-2-4-10(9(11)8-15-18)16-13-7-3-6-12(14)17-13/h3,6-8,10H,2,4-5H2,1H3,(H,16,17)
InChIKeyPKRZKIIUDXJGPD-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.44
Rot. Bonds2

About N-(6-fluoro-2-pyridinyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

N-(6-fluoro-2-pyridinyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 113234559) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is N-(6-fluoro-2-pyridinyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound NameN-(6-fluoro-2-pyridinyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID113234559
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC NameN-(6-fluoro-2-pyridinyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2Nc1cccc(F)n1
InChIInChI=1S/C13H15FN4/c1-18-11-5-2-4-10(9(11)8-15-18)16-13-7-3-6-12(14)17-13/h3,6-8,10H,2,4-5H2,1H3,(H,16,17)
InChIKeyPKRZKIIUDXJGPD-UHFFFAOYSA-N
XLogP2.44
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-pyridinyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of N-(6-fluoro-2-pyridinyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 113234559) is N-(6-fluoro-2-pyridinyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for N-(6-fluoro-2-pyridinyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for N-(6-fluoro-2-pyridinyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is Cn1ncc2c1CCCC2Nc1cccc(F)n1.
What is the InChIKey of N-(6-fluoro-2-pyridinyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is PKRZKIIUDXJGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-18-11-5-2-4-10(9(11)8-15-18)16-13-7-3-6-12(14)17-13/h3,6-8,10H,2,4-5H2,1H3,(H,16,17).
What are the key properties of N-(6-fluoro-2-pyridinyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
N-(6-fluoro-2-pyridinyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 246.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-pyridinyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 113234559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).