6-N-methyl-6-N-(2-methylsulfanylethyl)-1H-indazole-5,6-diamine

C11H16N4S — CID 107490850

IUPAC6-N-methyl-6-N-(2-methylsulfanylethyl)-1H-indazole-5,6-diamine
SMILESCSCCN(C)c1cc2[nH]ncc2cc1N
InChIInChI=1S/C11H16N4S/c1-15(3-4-16-2)11-6-10-8(5-9(11)12)7-13-14-10/h5-7H,3-4,12H2,1-2H3,(H,13,14)
InChIKeyOAOBKZRDLKOJMD-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.94
Rot. Bonds4

About 6-N-methyl-6-N-(2-methylsulfanylethyl)-1H-indazole-5,6-diamine

6-N-methyl-6-N-(2-methylsulfanylethyl)-1H-indazole-5,6-diamine (PubChem CID 107490850) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 6-N-methyl-6-N-(2-methylsulfanylethyl)-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-methyl-6-N-(2-methylsulfanylethyl)-1H-indazole-5,6-diamine
PubChem CID107490850
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name6-N-methyl-6-N-(2-methylsulfanylethyl)-1H-indazole-5,6-diamine
SMILESCSCCN(C)c1cc2[nH]ncc2cc1N
InChIInChI=1S/C11H16N4S/c1-15(3-4-16-2)11-6-10-8(5-9(11)12)7-13-14-10/h5-7H,3-4,12H2,1-2H3,(H,13,14)
InChIKeyOAOBKZRDLKOJMD-UHFFFAOYSA-N
XLogP1.94
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-N-methyl-6-N-(pyridin-3-ylmethyl)-1H-indazole-5,6-diamine
CID 107488961
6-N-methyl-6-N-(oxan-2-ylmethyl)-1H-indazole-5,6-diamine
CID 107489292
2-[(5-amino-1H-indazol-6-yl)-methylamino]-N-cyclopropylacetamide
CID 107488994
1-N,4-dimethyl-1-N-(2-methylsulfanylethyl)benzene-1,2-diamine
CID 112656745
6-N-benzyl-6-N-propyl-1H-indazole-5,6-diamine
CID 107489047
6-N-butan-2-yl-6-N-(2-methoxyethyl)-1H-indazole-5,6-diamine
CID 107489655
2-[(5-amino-1H-indazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107491314
6-N-ethyl-6-N-(1-methoxypropan-2-yl)-1H-indazole-5,6-diamine
CID 107489686
2-[(5-amino-1H-indazol-6-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107491312
6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-indazol-5-amine
CID 107490120
1-N-methyl-1-N-(2-methylsulfanylethyl)-4-methylsulfonylbenzene-1,2-diamine
CID 112656763
4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzamide
CID 112656815

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-(2-methylsulfanylethyl)-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-methyl-6-N-(2-methylsulfanylethyl)-1H-indazole-5,6-diamine (CID 107490850) is 6-N-methyl-6-N-(2-methylsulfanylethyl)-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-methyl-6-N-(2-methylsulfanylethyl)-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-methyl-6-N-(2-methylsulfanylethyl)-1H-indazole-5,6-diamine is CSCCN(C)c1cc2[nH]ncc2cc1N.
What is the InChIKey of 6-N-methyl-6-N-(2-methylsulfanylethyl)-1H-indazole-5,6-diamine?
The InChIKey is OAOBKZRDLKOJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-15(3-4-16-2)11-6-10-8(5-9(11)12)7-13-14-10/h5-7H,3-4,12H2,1-2H3,(H,13,14).
What are the key properties of 6-N-methyl-6-N-(2-methylsulfanylethyl)-1H-indazole-5,6-diamine?
6-N-methyl-6-N-(2-methylsulfanylethyl)-1H-indazole-5,6-diamine has a molecular weight of 236.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-(2-methylsulfanylethyl)-1H-indazole-5,6-diamine is sourced from PubChem (CID 107490850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).