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

C10H20N4O — CID 66193423

IUPAC1-[4-[(tert-butylamino)methyl]triazol-1-yl]propan-2-ol
SMILESCC(O)Cn1cc(CNC(C)(C)C)nn1
InChIInChI=1S/C10H20N4O/c1-8(15)6-14-7-9(12-13-14)5-11-10(2,3)4/h7-8,11,15H,5-6H2,1-4H3
InChIKeyIUDRNHJLZCEZGX-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.55
Rot. Bonds4

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

1-[4-[(tert-butylamino)methyl]triazol-1-yl]propan-2-ol (PubChem CID 66193423) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-[4-[(tert-butylamino)methyl]triazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[(tert-butylamino)methyl]triazol-1-yl]propan-2-ol
PubChem CID66193423
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name1-[4-[(tert-butylamino)methyl]triazol-1-yl]propan-2-ol
SMILESCC(O)Cn1cc(CNC(C)(C)C)nn1
InChIInChI=1S/C10H20N4O/c1-8(15)6-14-7-9(12-13-14)5-11-10(2,3)4/h7-8,11,15H,5-6H2,1-4H3
InChIKeyIUDRNHJLZCEZGX-UHFFFAOYSA-N
XLogP0.55
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(methylaminomethyl)triazol-1-yl]propan-2-ol
CID 66214034
1-[4-[(tert-butylamino)methyl]triazol-1-yl]-2-methylbutan-2-ol
CID 114497656
6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol
CID 107707372
2-methyl-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66191690
N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66193655
N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,3-dimethylbutan-2-amine
CID 62432654
2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine
CID 66191679
2-methyl-N-[[1-[(3-propan-2-ylimidazol-4-yl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 66192657
N-[[1-[3-(dimethylamino)propyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114526861
N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
CID 103398443
N-[[1-[2-(2,2-difluoroethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 82005716
N-[[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62438721

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(tert-butylamino)methyl]triazol-1-yl]propan-2-ol?
The IUPAC name of 1-[4-[(tert-butylamino)methyl]triazol-1-yl]propan-2-ol (CID 66193423) is 1-[4-[(tert-butylamino)methyl]triazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-[(tert-butylamino)methyl]triazol-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-[(tert-butylamino)methyl]triazol-1-yl]propan-2-ol is CC(O)Cn1cc(CNC(C)(C)C)nn1.
What is the InChIKey of 1-[4-[(tert-butylamino)methyl]triazol-1-yl]propan-2-ol?
The InChIKey is IUDRNHJLZCEZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-8(15)6-14-7-9(12-13-14)5-11-10(2,3)4/h7-8,11,15H,5-6H2,1-4H3.
What are the key properties of 1-[4-[(tert-butylamino)methyl]triazol-1-yl]propan-2-ol?
1-[4-[(tert-butylamino)methyl]triazol-1-yl]propan-2-ol has a molecular weight of 212.30 g/mol, XLogP of 0.55, 4 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]propan-2-ol is sourced from PubChem (CID 66193423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).