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

C11H22N4O — CID 103399417

IUPAC1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-ol
SMILESCCC(O)CNCc1cn(C(C)(C)C)nn1
InChIInChI=1S/C11H22N4O/c1-5-10(16)7-12-6-9-8-15(14-13-9)11(2,3)4/h8,10,12,16H,5-7H2,1-4H3
InChIKeyNTBDUVNXEATUNP-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.89
Rot. Bonds5

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

1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-ol (PubChem CID 103399417) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-ol.

Molecular Properties

Compound Name1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-ol
PubChem CID103399417
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-ol
SMILESCCC(O)CNCc1cn(C(C)(C)C)nn1
InChIInChI=1S/C11H22N4O/c1-5-10(16)7-12-6-9-8-15(14-13-9)11(2,3)4/h8,10,12,16H,5-7H2,1-4H3
InChIKeyNTBDUVNXEATUNP-UHFFFAOYSA-N
XLogP0.89
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-tert-butyltriazol-4-yl)methylamino]propane-1,2-diol
CID 103399191
3-[(1-tert-butyltriazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103527457
tert-butyl N-[1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-yl]carbamate
CID 107250505
2-[[(1-tert-butyltriazol-4-yl)methylamino]methyl]-4-methylpentanoic acid
CID 122128001
N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine
CID 103399314
N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethoxypropan-1-amine
CID 103527647
N-[(1-tert-butyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 103399289
1-N-[(1-tert-butyltriazol-4-yl)methyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 103527182
2-[(1-tert-butyltriazol-4-yl)methylamino]-N-ethylacetamide
CID 103398707
1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpentan-2-ol
CID 103527240
N-[(1-tert-butyltriazol-4-yl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 103398952
N-[(1-tert-butyltriazol-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103399091

Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-ol?
The IUPAC name of 1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-ol (CID 103399417) is 1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-ol.
What is the SMILES notation for 1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-ol?
The canonical SMILES for 1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-ol is CCC(O)CNCc1cn(C(C)(C)C)nn1.
What is the InChIKey of 1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-ol?
The InChIKey is NTBDUVNXEATUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-5-10(16)7-12-6-9-8-15(14-13-9)11(2,3)4/h8,10,12,16H,5-7H2,1-4H3.
What are the key properties of 1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-ol?
1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-ol has a molecular weight of 226.32 g/mol, XLogP of 0.89, 5 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]butan-2-ol is sourced from PubChem (CID 103399417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).