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

C12H21N3O — CID 104980497

IUPAC(2S)-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol
SMILESCC[C@@H](CO)NC1CCCc2c1cnn2C
InChIInChI=1S/C12H21N3O/c1-3-9(8-16)14-11-5-4-6-12-10(11)7-13-15(12)2/h7,9,11,14,16H,3-6,8H2,1-2H3/t9-,11?/m0/s1
InChIKeySTINXIAJGZYESW-FTNKSUMCSA-N
MW223.32 g/mol
LogP1.16
Rot. Bonds4

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

(2S)-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol (PubChem CID 104980497) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (2S)-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol
PubChem CID104980497
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(2S)-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol
SMILESCC[C@@H](CO)NC1CCCc2c1cnn2C
InChIInChI=1S/C12H21N3O/c1-3-9(8-16)14-11-5-4-6-12-10(11)7-13-15(12)2/h7,9,11,14,16H,3-6,8H2,1-2H3/t9-,11?/m0/s1
InChIKeySTINXIAJGZYESW-FTNKSUMCSA-N
XLogP1.16
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol with MolForge

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Related Compounds

4-methyl-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol
CID 61245676
N-heptan-4-yl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43727357
2-methyl-5-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol
CID 103905391
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanesulfonamide
CID 94197139
1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 43712088
1-methyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5,6,7-tetrahydroindazol-4-amine
CID 43749196
N-[1-(5-fluoro-2-pyridinyl)propyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 115938578
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 103777387
4-methyl-2-[1-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]phenol
CID 43727389
N-[1-(2-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43680101
3-ethyl-2-N,2-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pentane-1,2-diamine
CID 43254686

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol?
The IUPAC name of (2S)-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol (CID 104980497) is (2S)-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol?
The canonical SMILES for (2S)-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol is CC[C@@H](CO)NC1CCCc2c1cnn2C.
What is the InChIKey of (2S)-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol?
The InChIKey is STINXIAJGZYESW-FTNKSUMCSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-9(8-16)14-11-5-4-6-12-10(11)7-13-15(12)2/h7,9,11,14,16H,3-6,8H2,1-2H3/t9-,11?/m0/s1.
What are the key properties of (2S)-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol?
(2S)-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol is sourced from PubChem (CID 104980497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).