N-(3-methylsulfanylpropyl)-1H-indazol-5-amine

C11H15N3S — CID 43690828

IUPACN-(3-methylsulfanylpropyl)-1H-indazol-5-amine
SMILESCSCCCNc1ccc2[nH]ncc2c1
InChIInChI=1S/C11H15N3S/c1-15-6-2-5-12-10-3-4-11-9(7-10)8-13-14-11/h3-4,7-8,12H,2,5-6H2,1H3,(H,13,14)
InChIKeyFUWYVNGIBNGCKZ-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.73
Rot. Bonds5

About N-(3-methylsulfanylpropyl)-1H-indazol-5-amine

N-(3-methylsulfanylpropyl)-1H-indazol-5-amine (PubChem CID 43690828) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)-1H-indazol-5-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)-1H-indazol-5-amine
PubChem CID43690828
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN-(3-methylsulfanylpropyl)-1H-indazol-5-amine
SMILESCSCCCNc1ccc2[nH]ncc2c1
InChIInChI=1S/C11H15N3S/c1-15-6-2-5-12-10-3-4-11-9(7-10)8-13-14-11/h3-4,7-8,12H,2,5-6H2,1H3,(H,13,14)
InChIKeyFUWYVNGIBNGCKZ-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-6-amine
CID 43743379
N-[5-(1H-indazol-5-ylamino)pentyl]-2-methylpropane-2-sulfonamide
CID 70939628
N-(2,2,2-trifluoroethyl)-1H-indazol-5-amine
CID 102049744
N-(5-methylsulfanylpentyl)naphthalen-2-amine
CID 114127751
N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine
CID 43690856
N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine
CID 43231004
N-[(2,4,5-trimethylphenyl)methyl]-1H-indazol-5-amine
CID 43782695
N-(4-fluorophenyl)-1H-indazol-5-amine
CID 91229030
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1H-indazol-5-amine
CID 103276309
N-[(6-methyl-3-pyridinyl)methyl]-1H-indazol-5-amine
CID 104756562
N-[(4-butoxyphenyl)methyl]-1H-indazol-5-amine
CID 30983712
N-(1H-indazol-5-yl)-4,4-dimethylpentanamide
CID 155236090

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylpropyl)-1H-indazol-5-amine?
The IUPAC name of N-(3-methylsulfanylpropyl)-1H-indazol-5-amine (CID 43690828) is N-(3-methylsulfanylpropyl)-1H-indazol-5-amine.
What is the SMILES notation for N-(3-methylsulfanylpropyl)-1H-indazol-5-amine?
The canonical SMILES for N-(3-methylsulfanylpropyl)-1H-indazol-5-amine is CSCCCNc1ccc2[nH]ncc2c1.
What is the InChIKey of N-(3-methylsulfanylpropyl)-1H-indazol-5-amine?
The InChIKey is FUWYVNGIBNGCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-15-6-2-5-12-10-3-4-11-9(7-10)8-13-14-11/h3-4,7-8,12H,2,5-6H2,1H3,(H,13,14).
What are the key properties of N-(3-methylsulfanylpropyl)-1H-indazol-5-amine?
N-(3-methylsulfanylpropyl)-1H-indazol-5-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-5-amine is sourced from PubChem (CID 43690828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).