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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Related Compounds

2-[1-(5-amino-1H-indazol-6-yl)piperidin-2-yl]ethanol
CID 107488175
6-N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-5,6-diamine
CID 107490807
4,5-dimethyl-2-[(2S)-2-methylpiperidin-1-yl]aniline
CID 94675572
6-(4-propan-2-ylazepan-1-yl)-1H-indazol-5-amine
CID 107490375
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1H-indazol-5-amine
CID 107490647
6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-indazol-5-amine
CID 107490120
5-chloro-2-[(2S)-2-methylpiperidin-1-yl]aniline
CID 40788179
2-[1-(5-amino-1H-indazol-6-yl)piperidin-4-yl]oxyethanol
CID 107490774
6-(3-morpholin-4-ylpyrrolidin-1-yl)-1H-indazol-5-amine
CID 107490188
3-bromo-8-(2-methylazepan-1-yl)quinolin-5-amine
CID 106949404
4,5-dimethoxy-2-(2-methylpyrrolidin-1-yl)aniline
CID 83001444
6-(2-methylpiperidin-1-yl)pyridine-3,4-diamine
CID 165447697

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).