1-[4-[(tert-butylamino)methyl]triazol-1-yl]-2-methylbutan-2-ol

C12H24N4O — CID 114497656

IUPAC1-[4-[(tert-butylamino)methyl]triazol-1-yl]-2-methylbutan-2-ol
SMILESCCC(C)(O)Cn1cc(CNC(C)(C)C)nn1
InChIInChI=1S/C12H24N4O/c1-6-12(5,17)9-16-8-10(14-15-16)7-13-11(2,3)4/h8,13,17H,6-7,9H2,1-5H3
InChIKeyACUYAGDXRMOIQN-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.33
Rot. Bonds5

About 1-[4-[(tert-butylamino)methyl]triazol-1-yl]-2-methylbutan-2-ol

1-[4-[(tert-butylamino)methyl]triazol-1-yl]-2-methylbutan-2-ol (PubChem CID 114497656) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[4-[(tert-butylamino)methyl]triazol-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[4-[(tert-butylamino)methyl]triazol-1-yl]-2-methylbutan-2-ol
PubChem CID114497656
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name1-[4-[(tert-butylamino)methyl]triazol-1-yl]-2-methylbutan-2-ol
SMILESCCC(C)(O)Cn1cc(CNC(C)(C)C)nn1
InChIInChI=1S/C12H24N4O/c1-6-12(5,17)9-16-8-10(14-15-16)7-13-11(2,3)4/h8,13,17H,6-7,9H2,1-5H3
InChIKeyACUYAGDXRMOIQN-UHFFFAOYSA-N
XLogP1.33
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(tert-butylamino)methyl]triazol-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 1-[4-[(tert-butylamino)methyl]triazol-1-yl]-2-methylbutan-2-ol (CID 114497656) is 1-[4-[(tert-butylamino)methyl]triazol-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[4-[(tert-butylamino)methyl]triazol-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 1-[4-[(tert-butylamino)methyl]triazol-1-yl]-2-methylbutan-2-ol is CCC(C)(O)Cn1cc(CNC(C)(C)C)nn1.
What is the InChIKey of 1-[4-[(tert-butylamino)methyl]triazol-1-yl]-2-methylbutan-2-ol?
The InChIKey is ACUYAGDXRMOIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-6-12(5,17)9-16-8-10(14-15-16)7-13-11(2,3)4/h8,13,17H,6-7,9H2,1-5H3.
What are the key properties of 1-[4-[(tert-butylamino)methyl]triazol-1-yl]-2-methylbutan-2-ol?
1-[4-[(tert-butylamino)methyl]triazol-1-yl]-2-methylbutan-2-ol has a molecular weight of 240.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(tert-butylamino)methyl]triazol-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 114497656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).