1-(1H-indazol-7-ylmethylamino)-2-methyl-3-methylsulfanylpropan-2-ol

C13H19N3OS — CID 111969416

IUPAC1-(1H-indazol-7-ylmethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNCc1cccc2cn[nH]c12
InChIInChI=1S/C13H19N3OS/c1-13(17,9-18-2)8-14-6-10-4-3-5-11-7-15-16-12(10)11/h3-5,7,14,17H,6,8-9H2,1-2H3,(H,15,16)
InChIKeyZJGJMRJYQDCNBI-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.77
Rot. Bonds6

About 1-(1H-indazol-7-ylmethylamino)-2-methyl-3-methylsulfanylpropan-2-ol

1-(1H-indazol-7-ylmethylamino)-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 111969416) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(1H-indazol-7-ylmethylamino)-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(1H-indazol-7-ylmethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID111969416
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name1-(1H-indazol-7-ylmethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNCc1cccc2cn[nH]c12
InChIInChI=1S/C13H19N3OS/c1-13(17,9-18-2)8-14-6-10-4-3-5-11-7-15-16-12(10)11/h3-5,7,14,17H,6,8-9H2,1-2H3,(H,15,16)
InChIKeyZJGJMRJYQDCNBI-UHFFFAOYSA-N
XLogP1.77
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-indazol-7-ylmethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111969444
N-(1H-indazol-7-ylmethyl)-2-methylpropan-1-amine
CID 115684234
N-(1H-indazol-7-ylmethyl)-1-(2-methoxy-3-pyridinyl)methanamine
CID 71974601
6-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]pyridine-2-carboxylic acid
CID 114163806
3-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one
CID 103682882
3-[(1H-indazol-7-ylmethylamino)methyl]hexan-1-ol
CID 111969470
2-fluoro-3-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]benzonitrile
CID 106246974
2-methyl-1-methylsulfanyl-3-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 103682845
1-[(3-chlorophenyl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 111437026
2-methyl-1-methylsulfanyl-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 111437059
N-(1H-indazol-7-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 71923123
N-(1H-indazol-7-ylmethyl)-N-methylhydroxylamine
CID 96741733

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-7-ylmethylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-(1H-indazol-7-ylmethylamino)-2-methyl-3-methylsulfanylpropan-2-ol (CID 111969416) is 1-(1H-indazol-7-ylmethylamino)-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(1H-indazol-7-ylmethylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-(1H-indazol-7-ylmethylamino)-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNCc1cccc2cn[nH]c12.
What is the InChIKey of 1-(1H-indazol-7-ylmethylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is ZJGJMRJYQDCNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-13(17,9-18-2)8-14-6-10-4-3-5-11-7-15-16-12(10)11/h3-5,7,14,17H,6,8-9H2,1-2H3,(H,15,16).
What are the key properties of 1-(1H-indazol-7-ylmethylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
1-(1H-indazol-7-ylmethylamino)-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 265.38 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-7-ylmethylamino)-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 111969416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).