N-(3-methylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

C11H19N3S — CID 14539723

IUPACN-(3-methylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
SMILESCSCCCNC1CCc2[nH]ncc2C1
InChIInChI=1S/C11H19N3S/c1-15-6-2-5-12-10-3-4-11-9(7-10)8-13-14-11/h8,10,12H,2-7H2,1H3,(H,13,14)
InChIKeyQUJDNNNGGPPYGI-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.61
Rot. Bonds5

About N-(3-methylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

N-(3-methylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine (PubChem CID 14539723) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
PubChem CID14539723
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-(3-methylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
SMILESCSCCCNC1CCc2[nH]ncc2C1
InChIInChI=1S/C11H19N3S/c1-15-6-2-5-12-10-3-4-11-9(7-10)8-13-14-11/h8,10,12H,2-7H2,1H3,(H,13,14)
InChIKeyQUJDNNNGGPPYGI-UHFFFAOYSA-N
XLogP1.61
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.61
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

Propyl-(4,5,6,7-tetrahydro-2H-indazol-5-yl)-amine
CID 14539719
2H-Indazol-5-amine, N-ethyl-4,5,6,7-tetrahydro-
CID 14539718
Dipropyl-(4,5,6,7-tetrahydro-2H-indazol-5-yl)-amine
CID 12898419
4,5,6,7-tetrahydro-1H-indazol-5-amine dihydrochloride
CID 13036532
Butyl-propyl-(4,5,6,7-tetrahydro-2H-indazol-5-yl)-amine
CID 14539725
(4aR)-7-(methylsulfanylmethyl)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline
CID 44288218
(3-Methylsulfanyl-propyl)-propyl-(4,5,6,7-tetrahydro-2H-indazol-5-yl)-amine
CID 44316485
Methyl-propyl-(4,5,6,7-tetrahydro-2H-indazol-5-yl)-amine
CID 20546768
N,N-dimethyl-4,5,6,7-tetrahydro-1H-indazol-5-amine;dihydrochloride
CID 13036533
N,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-6-amine
CID 23454819
4,5,6,7-Tetrahydro-1H-indazol-5-amine
CID 12898417
N,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine;dihydrochloride
CID 13036534

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The IUPAC name of N-(3-methylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine (CID 14539723) is N-(3-methylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine.
What is the SMILES notation for N-(3-methylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The canonical SMILES for N-(3-methylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine is CSCCCNC1CCc2[nH]ncc2C1.
What is the InChIKey of N-(3-methylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The InChIKey is QUJDNNNGGPPYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-15-6-2-5-12-10-3-4-11-9(7-10)8-13-14-11/h8,10,12H,2-7H2,1H3,(H,13,14).
What are the key properties of N-(3-methylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine?
N-(3-methylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine has a molecular weight of 225.36 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine is sourced from PubChem (CID 14539723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).