(3R)-3-(1H-indazol-6-ylmethylamino)butan-1-ol

C12H17N3O — CID 103854776

IUPAC(3R)-3-(1H-indazol-6-ylmethylamino)butan-1-ol
SMILESC[C@H](CCO)NCc1ccc2cn[nH]c2c1
InChIInChI=1S/C12H17N3O/c1-9(4-5-16)13-7-10-2-3-11-8-14-15-12(11)6-10/h2-3,6,8-9,13,16H,4-5,7H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyGKWXXNPVHGKOMA-SECBINFHSA-N
MW219.29 g/mol
LogP1.42
Rot. Bonds5

About (3R)-3-(1H-indazol-6-ylmethylamino)butan-1-ol

(3R)-3-(1H-indazol-6-ylmethylamino)butan-1-ol (PubChem CID 103854776) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (3R)-3-(1H-indazol-6-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name(3R)-3-(1H-indazol-6-ylmethylamino)butan-1-ol
PubChem CID103854776
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(3R)-3-(1H-indazol-6-ylmethylamino)butan-1-ol
SMILESC[C@H](CCO)NCc1ccc2cn[nH]c2c1
InChIInChI=1S/C12H17N3O/c1-9(4-5-16)13-7-10-2-3-11-8-14-15-12(11)6-10/h2-3,6,8-9,13,16H,4-5,7H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyGKWXXNPVHGKOMA-SECBINFHSA-N
XLogP1.42
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indazol-6-ylmethyl)-3-methylbutan-2-amine
CID 115606919
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
(2R)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884297
(2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884153
methyl (2R,3S)-3-hydroxy-2-(1H-indazol-6-ylmethylamino)butanoate
CID 99793353
1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol
CID 115621594
N-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide
CID 110470760
N-(1H-indazol-6-ylmethyl)butan-1-amine
CID 62919560
(3R)-3-[(4-methylsulfanylphenyl)methylamino]butan-1-ol
CID 103854632
(3R)-3-[(3-fluoro-4-methylphenyl)methylamino]butan-1-ol
CID 103854790

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1H-indazol-6-ylmethylamino)butan-1-ol?
The IUPAC name of (3R)-3-(1H-indazol-6-ylmethylamino)butan-1-ol (CID 103854776) is (3R)-3-(1H-indazol-6-ylmethylamino)butan-1-ol.
What is the SMILES notation for (3R)-3-(1H-indazol-6-ylmethylamino)butan-1-ol?
The canonical SMILES for (3R)-3-(1H-indazol-6-ylmethylamino)butan-1-ol is C[C@H](CCO)NCc1ccc2cn[nH]c2c1.
What is the InChIKey of (3R)-3-(1H-indazol-6-ylmethylamino)butan-1-ol?
The InChIKey is GKWXXNPVHGKOMA-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(4-5-16)13-7-10-2-3-11-8-14-15-12(11)6-10/h2-3,6,8-9,13,16H,4-5,7H2,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (3R)-3-(1H-indazol-6-ylmethylamino)butan-1-ol?
(3R)-3-(1H-indazol-6-ylmethylamino)butan-1-ol has a molecular weight of 219.29 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1H-indazol-6-ylmethylamino)butan-1-ol is sourced from PubChem (CID 103854776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).