(2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol

C11H15N3O — CID 103884153

IUPAC(2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
SMILESC[C@H](O)CNCc1ccc2cn[nH]c2c1
InChIInChI=1S/C11H15N3O/c1-8(15)5-12-6-9-2-3-10-7-13-14-11(10)4-9/h2-4,7-8,12,15H,5-6H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyGJMXDVNFBSQKGM-QMMMGPOBSA-N
MW205.26 g/mol
LogP1.03
Rot. Bonds4

About (2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol

(2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol (PubChem CID 103884153) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is (2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
PubChem CID103884153
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name(2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
SMILESC[C@H](O)CNCc1ccc2cn[nH]c2c1
InChIInChI=1S/C11H15N3O/c1-8(15)5-12-6-9-2-3-10-7-13-14-11(10)4-9/h2-4,7-8,12,15H,5-6H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyGJMXDVNFBSQKGM-QMMMGPOBSA-N
XLogP1.03
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884297
1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol
CID 115621594
N-(1H-indazol-6-ylmethyl)-3-methylbutan-2-amine
CID 115606919
N-(1H-indazol-6-ylmethyl)butan-1-amine
CID 62919560
(3R)-3-(1H-indazol-6-ylmethylamino)butan-1-ol
CID 103854776
N-(1H-indazol-6-ylmethyl)pentan-3-amine;hydrochloride
CID 115606796
N-(1H-indazol-6-ylmethyl)but-3-en-2-amine
CID 115691269
2-(1H-indazol-6-ylmethylamino)propanamide;hydrochloride
CID 115606981
methyl (2R,3S)-3-hydroxy-2-(1H-indazol-6-ylmethylamino)butanoate
CID 99793353
N-(1H-indazol-6-ylmethyl)-2-methylsulfinylethanamine
CID 115632496
2-cyclopropyl-N-(1H-indazol-6-ylmethyl)ethanamine
CID 115656450
N-(1H-indazol-6-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride
CID 115607475

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol?
The IUPAC name of (2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol (CID 103884153) is (2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol.
What is the SMILES notation for (2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol?
The canonical SMILES for (2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol is C[C@H](O)CNCc1ccc2cn[nH]c2c1.
What is the InChIKey of (2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol?
The InChIKey is GJMXDVNFBSQKGM-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8(15)5-12-6-9-2-3-10-7-13-14-11(10)4-9/h2-4,7-8,12,15H,5-6H2,1H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol?
(2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol has a molecular weight of 205.26 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol is sourced from PubChem (CID 103884153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).