6-(2-methylazepan-1-yl)-1H-indazol-5-amine

C14H20N4 — CID 107490347

IUPAC6-(2-methylazepan-1-yl)-1H-indazol-5-amine
SMILESCC1CCCCCN1c1cc2[nH]ncc2cc1N
InChIInChI=1S/C14H20N4/c1-10-5-3-2-4-6-18(10)14-8-13-11(7-12(14)15)9-16-17-13/h7-10H,2-6,15H2,1H3,(H,16,17)
InChIKeyIFFHEBNRGYQICS-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.91
Rot. Bonds1

About 6-(2-methylazepan-1-yl)-1H-indazol-5-amine

6-(2-methylazepan-1-yl)-1H-indazol-5-amine (PubChem CID 107490347) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 6-(2-methylazepan-1-yl)-1H-indazol-5-amine.

Molecular Properties

Compound Name6-(2-methylazepan-1-yl)-1H-indazol-5-amine
PubChem CID107490347
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name6-(2-methylazepan-1-yl)-1H-indazol-5-amine
SMILESCC1CCCCCN1c1cc2[nH]ncc2cc1N
InChIInChI=1S/C14H20N4/c1-10-5-3-2-4-6-18(10)14-8-13-11(7-12(14)15)9-16-17-13/h7-10H,2-6,15H2,1H3,(H,16,17)
InChIKeyIFFHEBNRGYQICS-UHFFFAOYSA-N
XLogP2.91
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylazepan-1-yl)-1H-indazol-5-amine?
The IUPAC name of 6-(2-methylazepan-1-yl)-1H-indazol-5-amine (CID 107490347) is 6-(2-methylazepan-1-yl)-1H-indazol-5-amine.
What is the SMILES notation for 6-(2-methylazepan-1-yl)-1H-indazol-5-amine?
The canonical SMILES for 6-(2-methylazepan-1-yl)-1H-indazol-5-amine is CC1CCCCCN1c1cc2[nH]ncc2cc1N.
What is the InChIKey of 6-(2-methylazepan-1-yl)-1H-indazol-5-amine?
The InChIKey is IFFHEBNRGYQICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10-5-3-2-4-6-18(10)14-8-13-11(7-12(14)15)9-16-17-13/h7-10H,2-6,15H2,1H3,(H,16,17).
What are the key properties of 6-(2-methylazepan-1-yl)-1H-indazol-5-amine?
6-(2-methylazepan-1-yl)-1H-indazol-5-amine has a molecular weight of 244.34 g/mol, XLogP of 2.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylazepan-1-yl)-1H-indazol-5-amine is sourced from PubChem (CID 107490347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).