1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpentan-2-ol

C13H26N4O — CID 103527240

IUPAC1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCc1cn(C(C)(C)C)nn1
InChIInChI=1S/C13H26N4O/c1-6-7-13(5,18)10-14-8-11-9-17(16-15-11)12(2,3)4/h9,14,18H,6-8,10H2,1-5H3
InChIKeyMXGJHKQAWXBHQY-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.67
Rot. Bonds6

About 1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpentan-2-ol

1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpentan-2-ol (PubChem CID 103527240) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpentan-2-ol
PubChem CID103527240
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCc1cn(C(C)(C)C)nn1
InChIInChI=1S/C13H26N4O/c1-6-7-13(5,18)10-14-8-11-9-17(16-15-11)12(2,3)4/h9,14,18H,6-8,10H2,1-5H3
InChIKeyMXGJHKQAWXBHQY-UHFFFAOYSA-N
XLogP1.67
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-ol
CID 103399417
N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine
CID 103399314
N-[(1-tert-butyltriazol-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103399091
1-(1-tert-butyltriazol-4-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 103527503
2-[(1-tert-butyltriazol-4-yl)methylamino]-N-ethylacetamide
CID 103398707
N-[1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 103399113
2-methyl-1-[(2,4,5-trifluorophenyl)methylamino]pentan-2-ol
CID 113263596
N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
CID 103398443
3-[(1-tert-butyltriazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103527457
3-[(1-tert-butyltriazol-4-yl)methylamino]propane-1,2-diol
CID 103399191
N-tert-butyl-2-[(1-tert-butyltriazol-4-yl)methylamino]acetamide
CID 103399299
2-[(1-tert-butyltriazol-4-yl)methylamino]-2-ethylbutan-1-ol
CID 103399061

Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpentan-2-ol?
The IUPAC name of 1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpentan-2-ol (CID 103527240) is 1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpentan-2-ol is CCCC(C)(O)CNCc1cn(C(C)(C)C)nn1.
What is the InChIKey of 1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpentan-2-ol?
The InChIKey is MXGJHKQAWXBHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-6-7-13(5,18)10-14-8-11-9-17(16-15-11)12(2,3)4/h9,14,18H,6-8,10H2,1-5H3.
What are the key properties of 1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpentan-2-ol?
1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpentan-2-ol has a molecular weight of 254.38 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpentan-2-ol is sourced from PubChem (CID 103527240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).