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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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).