3-[(1H-indazol-7-ylmethylamino)methyl]hexan-1-ol

C15H23N3O — CID 111969470

IUPAC3-[(1H-indazol-7-ylmethylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1cccc2cn[nH]c12
InChIInChI=1S/C15H23N3O/c1-2-4-12(7-8-19)9-16-10-13-5-3-6-14-11-17-18-15(13)14/h3,5-6,11-12,16,19H,2,4,7-10H2,1H3,(H,17,18)
InChIKeyDRHZOMXUWRTSDZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.45
Rot. Bonds8

About 3-[(1H-indazol-7-ylmethylamino)methyl]hexan-1-ol

3-[(1H-indazol-7-ylmethylamino)methyl]hexan-1-ol (PubChem CID 111969470) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[(1H-indazol-7-ylmethylamino)methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[(1H-indazol-7-ylmethylamino)methyl]hexan-1-ol
PubChem CID111969470
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-[(1H-indazol-7-ylmethylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1cccc2cn[nH]c12
InChIInChI=1S/C15H23N3O/c1-2-4-12(7-8-19)9-16-10-13-5-3-6-14-11-17-18-15(13)14/h3,5-6,11-12,16,19H,2,4,7-10H2,1H3,(H,17,18)
InChIKeyDRHZOMXUWRTSDZ-UHFFFAOYSA-N
XLogP2.45
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indazol-7-ylmethyl)-2-methylpropan-1-amine
CID 115684234
3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]hexan-1-ol
CID 106115405
1-(1H-indazol-7-ylmethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 111969416
4-[[2-(2-hydroxyethyl)pentylamino]methyl]benzene-1,2,3-triol
CID 103953592
3-[(naphthalen-2-ylmethylamino)methyl]hexan-1-ol
CID 103707936
N-(1H-indazol-7-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 71923123
3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol
CID 111470632
3-[[(2,5-dimethylphenyl)methylamino]methyl]hexan-1-ol
CID 103707961
4-[[(2-ethyl-4-hydroxybutyl)amino]methyl]-1H-pyrazole-5-carboxylic acid
CID 114274567
3-[(1-benzofuran-3-ylmethylamino)methyl]hexan-1-ol
CID 103826324
N'-(2,2-difluoroethyl)-N-(1H-indazol-7-ylmethyl)-N'-methylethane-1,2-diamine
CID 155953082
N-(2-methylpentyl)-1H-indazol-7-amine
CID 43730763

Frequently Asked Questions

What is the IUPAC name of 3-[(1H-indazol-7-ylmethylamino)methyl]hexan-1-ol?
The IUPAC name of 3-[(1H-indazol-7-ylmethylamino)methyl]hexan-1-ol (CID 111969470) is 3-[(1H-indazol-7-ylmethylamino)methyl]hexan-1-ol.
What is the SMILES notation for 3-[(1H-indazol-7-ylmethylamino)methyl]hexan-1-ol?
The canonical SMILES for 3-[(1H-indazol-7-ylmethylamino)methyl]hexan-1-ol is CCCC(CCO)CNCc1cccc2cn[nH]c12.
What is the InChIKey of 3-[(1H-indazol-7-ylmethylamino)methyl]hexan-1-ol?
The InChIKey is DRHZOMXUWRTSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-4-12(7-8-19)9-16-10-13-5-3-6-14-11-17-18-15(13)14/h3,5-6,11-12,16,19H,2,4,7-10H2,1H3,(H,17,18).
What are the key properties of 3-[(1H-indazol-7-ylmethylamino)methyl]hexan-1-ol?
3-[(1H-indazol-7-ylmethylamino)methyl]hexan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 2.45, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1H-indazol-7-ylmethylamino)methyl]hexan-1-ol is sourced from PubChem (CID 111969470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).