1-[1-[2-(dimethylamino)ethyl]triazol-4-yl]-2-methylpropan-2-ol

C10H20N4O — CID 90931320

IUPAC1-[1-[2-(dimethylamino)ethyl]triazol-4-yl]-2-methylpropan-2-ol
SMILESCN(C)CCn1cc(CC(C)(C)O)nn1
InChIInChI=1S/C10H20N4O/c1-10(2,15)7-9-8-14(12-11-9)6-5-13(3)4/h8,15H,5-7H2,1-4H3
InChIKeyZZWDYFRGAPJIPB-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.15
Rot. Bonds5

About 1-[1-[2-(dimethylamino)ethyl]triazol-4-yl]-2-methylpropan-2-ol

1-[1-[2-(dimethylamino)ethyl]triazol-4-yl]-2-methylpropan-2-ol (PubChem CID 90931320) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]triazol-4-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]triazol-4-yl]-2-methylpropan-2-ol
PubChem CID90931320
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name1-[1-[2-(dimethylamino)ethyl]triazol-4-yl]-2-methylpropan-2-ol
SMILESCN(C)CCn1cc(CC(C)(C)O)nn1
InChIInChI=1S/C10H20N4O/c1-10(2,15)7-9-8-14(12-11-9)6-5-13(3)4/h8,15H,5-7H2,1-4H3
InChIKeyZZWDYFRGAPJIPB-UHFFFAOYSA-N
XLogP0.15
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2-(dimethylamino)ethyl]triazol-4-yl]methanol
CID 62399765
1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]-2-methylpropan-2-ol
CID 90985884
2-[4-[(dimethylamino)methyl]triazol-1-yl]-N,N-bis[2-[4-[(dimethylamino)methyl]triazol-1-yl]ethyl]ethanamine
CID 139251714
3-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]propan-1-ol
CID 165456647
2-amino-3-[1-[2-(dimethylamino)ethyl]triazol-4-yl]propanoic acid
CID 116734904
4-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]benzene-1,2-diamine
CID 138618306
N-[[1-[3-(dimethylamino)propyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114526861
2-[1-[3-(dimethylamino)propyl]triazol-4-yl]acetic acid
CID 107461296
1-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-2-methylpropan-2-ol
CID 136569277
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,3,3-trimethylbutan-2-amine
CID 62426850
N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,2,2-trimethylpropan-1-amine
CID 62461556
N,N,N'-trimethyl-N'-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]ethane-1,2-diamine
CID 63727022

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]triazol-4-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]triazol-4-yl]-2-methylpropan-2-ol (CID 90931320) is 1-[1-[2-(dimethylamino)ethyl]triazol-4-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]triazol-4-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]triazol-4-yl]-2-methylpropan-2-ol is CN(C)CCn1cc(CC(C)(C)O)nn1.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]triazol-4-yl]-2-methylpropan-2-ol?
The InChIKey is ZZWDYFRGAPJIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-10(2,15)7-9-8-14(12-11-9)6-5-13(3)4/h8,15H,5-7H2,1-4H3.
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]triazol-4-yl]-2-methylpropan-2-ol?
1-[1-[2-(dimethylamino)ethyl]triazol-4-yl]-2-methylpropan-2-ol has a molecular weight of 212.30 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]triazol-4-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 90931320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).