6-(3-methoxypropylsulfanyl)-1H-indazol-5-amine

C11H15N3OS — CID 107491495

IUPAC6-(3-methoxypropylsulfanyl)-1H-indazol-5-amine
SMILESCOCCCSc1cc2[nH]ncc2cc1N
InChIInChI=1S/C11H15N3OS/c1-15-3-2-4-16-11-6-10-8(5-9(11)12)7-13-14-10/h5-7H,2-4,12H2,1H3,(H,13,14)
InChIKeyGPRAFUQXMLHGQN-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.27
Rot. Bonds5

About 6-(3-methoxypropylsulfanyl)-1H-indazol-5-amine

6-(3-methoxypropylsulfanyl)-1H-indazol-5-amine (PubChem CID 107491495) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 6-(3-methoxypropylsulfanyl)-1H-indazol-5-amine.

Molecular Properties

Compound Name6-(3-methoxypropylsulfanyl)-1H-indazol-5-amine
PubChem CID107491495
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name6-(3-methoxypropylsulfanyl)-1H-indazol-5-amine
SMILESCOCCCSc1cc2[nH]ncc2cc1N
InChIInChI=1S/C11H15N3OS/c1-15-3-2-4-16-11-6-10-8(5-9(11)12)7-13-14-10/h5-7H,2-4,12H2,1H3,(H,13,14)
InChIKeyGPRAFUQXMLHGQN-UHFFFAOYSA-N
XLogP2.27
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropylsulfanyl)-1H-indazol-5-amine?
The IUPAC name of 6-(3-methoxypropylsulfanyl)-1H-indazol-5-amine (CID 107491495) is 6-(3-methoxypropylsulfanyl)-1H-indazol-5-amine.
What is the SMILES notation for 6-(3-methoxypropylsulfanyl)-1H-indazol-5-amine?
The canonical SMILES for 6-(3-methoxypropylsulfanyl)-1H-indazol-5-amine is COCCCSc1cc2[nH]ncc2cc1N.
What is the InChIKey of 6-(3-methoxypropylsulfanyl)-1H-indazol-5-amine?
The InChIKey is GPRAFUQXMLHGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-15-3-2-4-16-11-6-10-8(5-9(11)12)7-13-14-10/h5-7H,2-4,12H2,1H3,(H,13,14).
What are the key properties of 6-(3-methoxypropylsulfanyl)-1H-indazol-5-amine?
6-(3-methoxypropylsulfanyl)-1H-indazol-5-amine has a molecular weight of 237.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropylsulfanyl)-1H-indazol-5-amine is sourced from PubChem (CID 107491495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).