6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol

C13H26N4O — CID 107707372

IUPAC6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol
SMILESCC(C)(C)NCc1cn(CCCCCCO)nn1
InChIInChI=1S/C13H26N4O/c1-13(2,3)14-10-12-11-17(16-15-12)8-6-4-5-7-9-18/h11,14,18H,4-10H2,1-3H3
InChIKeyJBFIJHLRJUNPGZ-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.72
Rot. Bonds8

About 6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol

6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol (PubChem CID 107707372) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol.

Molecular Properties

Compound Name6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol
PubChem CID107707372
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol
SMILESCC(C)(C)NCc1cn(CCCCCCO)nn1
InChIInChI=1S/C13H26N4O/c1-13(2,3)14-10-12-11-17(16-15-12)8-6-4-5-7-9-18/h11,14,18H,4-10H2,1-3H3
InChIKeyJBFIJHLRJUNPGZ-UHFFFAOYSA-N
XLogP1.72
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine
CID 66191679
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-2-methylpropan-1-ol
CID 66268917
N-[[1-[3-(dimethylamino)propyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114526861
2-methyl-N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]propan-2-amine
CID 66194438
2-methyl-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66191690
(1R,2S,4R,5S)-6-[[1-(7-hydroxyheptyl)triazol-4-yl]methylamino]cyclohexane-1,2,3,4,5-pentol
CID 52937816
3-[4-[(4-tert-butylanilino)methyl]triazol-1-yl]propan-1-ol
CID 66269664
6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol
CID 114008894
1-[4-[(tert-butylamino)methyl]triazol-1-yl]propan-2-ol
CID 66193423
N-[[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62438721
3-[4-[(2,3,3-trimethylbutylamino)methyl]triazol-1-yl]propan-1-ol
CID 83143100
6-[4-(2-aminoethyl)triazol-1-yl]hexan-1-ol
CID 107706694

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol?
The IUPAC name of 6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol (CID 107707372) is 6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol.
What is the SMILES notation for 6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol?
The canonical SMILES for 6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol is CC(C)(C)NCc1cn(CCCCCCO)nn1.
What is the InChIKey of 6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol?
The InChIKey is JBFIJHLRJUNPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-13(2,3)14-10-12-11-17(16-15-12)8-6-4-5-7-9-18/h11,14,18H,4-10H2,1-3H3.
What are the key properties of 6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol?
6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol has a molecular weight of 254.38 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol is sourced from PubChem (CID 107707372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).