(2S)-1-[[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propan-2-ol

C11H19N3O — CID 100638267

IUPAC(2S)-1-[[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propan-2-ol
SMILESC[C@H](O)CN[C@@H]1CCCc2nn(C)cc21
InChIInChI=1S/C11H19N3O/c1-8(15)6-12-10-4-3-5-11-9(10)7-14(2)13-11/h7-8,10,12,15H,3-6H2,1-2H3/t8-,10+/m0/s1
InChIKeyZZSVKWNQAFJAPV-WCBMZHEXSA-N
MW209.29 g/mol
LogP0.77
Rot. Bonds3

About (2S)-1-[[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propan-2-ol

(2S)-1-[[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propan-2-ol (PubChem CID 100638267) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (2S)-1-[[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propan-2-ol
PubChem CID100638267
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(2S)-1-[[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propan-2-ol
SMILESC[C@H](O)CN[C@@H]1CCCc2nn(C)cc21
InChIInChI=1S/C11H19N3O/c1-8(15)6-12-10-4-3-5-11-9(10)7-14(2)13-11/h7-8,10,12,15H,3-6H2,1-2H3/t8-,10+/m0/s1
InChIKeyZZSVKWNQAFJAPV-WCBMZHEXSA-N
XLogP0.77
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propan-2-ol (CID 100638267) is (2S)-1-[[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propan-2-ol is C[C@H](O)CN[C@@H]1CCCc2nn(C)cc21.
What is the InChIKey of (2S)-1-[[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propan-2-ol?
The InChIKey is ZZSVKWNQAFJAPV-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(15)6-12-10-4-3-5-11-9(10)7-14(2)13-11/h7-8,10,12,15H,3-6H2,1-2H3/t8-,10+/m0/s1.
What are the key properties of (2S)-1-[[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propan-2-ol?
(2S)-1-[[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propan-2-ol is sourced from PubChem (CID 100638267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).