N-(3-methylsulfanylpropyl)-1H-indazol-6-amine

C11H15N3S — CID 43743379

IUPACN-(3-methylsulfanylpropyl)-1H-indazol-6-amine
SMILESCSCCCNc1ccc2cn[nH]c2c1
InChIInChI=1S/C11H15N3S/c1-15-6-2-5-12-10-4-3-9-8-13-14-11(9)7-10/h3-4,7-8,12H,2,5-6H2,1H3,(H,13,14)
InChIKeyOCGGFQPFWZEDJE-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.73
Rot. Bonds5

About N-(3-methylsulfanylpropyl)-1H-indazol-6-amine

N-(3-methylsulfanylpropyl)-1H-indazol-6-amine (PubChem CID 43743379) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)-1H-indazol-6-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)-1H-indazol-6-amine
PubChem CID43743379
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN-(3-methylsulfanylpropyl)-1H-indazol-6-amine
SMILESCSCCCNc1ccc2cn[nH]c2c1
InChIInChI=1S/C11H15N3S/c1-15-6-2-5-12-10-4-3-9-8-13-14-11(9)7-10/h3-4,7-8,12H,2,5-6H2,1H3,(H,13,14)
InChIKeyOCGGFQPFWZEDJE-UHFFFAOYSA-N
XLogP2.73
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylsulfanylpropyl)-1H-indazol-5-amine
CID 43690828
N-(3-methoxy-3-methylbutyl)-1H-indazol-6-amine
CID 106675315
N-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-amine
CID 43790642
N-(5-methylsulfanylpentyl)naphthalen-2-amine
CID 114127751
N-[(4-ethylphenyl)methyl]-1H-indazol-6-amine
CID 43743407
2-tert-butyl-N-(4-methylsulfanylbutyl)-3H-benzimidazol-5-amine
CID 103087304
N-(3-methoxy-2-methylpropyl)-1H-indazol-6-amine
CID 116501115
N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-6-amine
CID 5333527
N-[(5-ethylfuran-2-yl)methyl]-1H-indazol-6-amine
CID 62345636
N-[(4-propan-2-ylphenyl)methyl]-1H-indazol-6-amine
CID 43229901
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine
CID 54868500
N-(cyclohexylmethyl)-1H-indazol-6-amine
CID 5333513

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylpropyl)-1H-indazol-6-amine?
The IUPAC name of N-(3-methylsulfanylpropyl)-1H-indazol-6-amine (CID 43743379) is N-(3-methylsulfanylpropyl)-1H-indazol-6-amine.
What is the SMILES notation for N-(3-methylsulfanylpropyl)-1H-indazol-6-amine?
The canonical SMILES for N-(3-methylsulfanylpropyl)-1H-indazol-6-amine is CSCCCNc1ccc2cn[nH]c2c1.
What is the InChIKey of N-(3-methylsulfanylpropyl)-1H-indazol-6-amine?
The InChIKey is OCGGFQPFWZEDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-15-6-2-5-12-10-4-3-9-8-13-14-11(9)7-10/h3-4,7-8,12H,2,5-6H2,1H3,(H,13,14).
What are the key properties of N-(3-methylsulfanylpropyl)-1H-indazol-6-amine?
N-(3-methylsulfanylpropyl)-1H-indazol-6-amine has a molecular weight of 221.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)-1H-indazol-6-amine is sourced from PubChem (CID 43743379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).