N-(5-methylthiolan-3-yl)-1H-indazol-6-amine

C12H15N3S — CID 79941917

IUPACN-(5-methylthiolan-3-yl)-1H-indazol-6-amine
SMILESCC1CC(Nc2ccc3cn[nH]c3c2)CS1
InChIInChI=1S/C12H15N3S/c1-8-4-11(7-16-8)14-10-3-2-9-6-13-15-12(9)5-10/h2-3,5-6,8,11,14H,4,7H2,1H3,(H,13,15)
InChIKeyQNCODWJVLWNIGF-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.87
Rot. Bonds2

About N-(5-methylthiolan-3-yl)-1H-indazol-6-amine

N-(5-methylthiolan-3-yl)-1H-indazol-6-amine (PubChem CID 79941917) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-(5-methylthiolan-3-yl)-1H-indazol-6-amine.

Molecular Properties

Compound NameN-(5-methylthiolan-3-yl)-1H-indazol-6-amine
PubChem CID79941917
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-(5-methylthiolan-3-yl)-1H-indazol-6-amine
SMILESCC1CC(Nc2ccc3cn[nH]c3c2)CS1
InChIInChI=1S/C12H15N3S/c1-8-4-11(7-16-8)14-10-3-2-9-6-13-15-12(9)5-10/h2-3,5-6,8,11,14H,4,7H2,1H3,(H,13,15)
InChIKeyQNCODWJVLWNIGF-UHFFFAOYSA-N
XLogP2.87
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylcyclopentyl)-1H-indazol-6-amine
CID 64501097
N-(3-methylcyclohexyl)-1H-indazol-6-amine
CID 43743422
N-(5,5-dimethylthian-3-yl)-1H-indazol-6-amine
CID 79959113
N-(3-propan-2-ylcyclohexyl)-1H-indazol-6-amine
CID 107448253
N-[4-(trifluoromethyl)cyclohexyl]-1H-indazol-6-amine
CID 64753657
N-(4-phenylcyclohexyl)-1H-indazol-6-amine
CID 2847039
3-(1H-indazol-6-ylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633697
N-(1-ethylazepan-4-yl)-1H-indazol-6-amine
CID 65073550
5-methyl-N-(4-pyrazol-1-ylphenyl)thiolan-3-amine
CID 79941808
N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazol-6-amine
CID 43790640
5-methyl-N-(4-nitrophenyl)thiolan-3-amine
CID 79942549
N-(6-bicyclo[3.2.0]hept-3-enyl)-1H-indazol-6-amine
CID 43790623

Frequently Asked Questions

What is the IUPAC name of N-(5-methylthiolan-3-yl)-1H-indazol-6-amine?
The IUPAC name of N-(5-methylthiolan-3-yl)-1H-indazol-6-amine (CID 79941917) is N-(5-methylthiolan-3-yl)-1H-indazol-6-amine.
What is the SMILES notation for N-(5-methylthiolan-3-yl)-1H-indazol-6-amine?
The canonical SMILES for N-(5-methylthiolan-3-yl)-1H-indazol-6-amine is CC1CC(Nc2ccc3cn[nH]c3c2)CS1.
What is the InChIKey of N-(5-methylthiolan-3-yl)-1H-indazol-6-amine?
The InChIKey is QNCODWJVLWNIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-8-4-11(7-16-8)14-10-3-2-9-6-13-15-12(9)5-10/h2-3,5-6,8,11,14H,4,7H2,1H3,(H,13,15).
What are the key properties of N-(5-methylthiolan-3-yl)-1H-indazol-6-amine?
N-(5-methylthiolan-3-yl)-1H-indazol-6-amine has a molecular weight of 233.34 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylthiolan-3-yl)-1H-indazol-6-amine is sourced from PubChem (CID 79941917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).