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

C7H14N4O — CID 62399765

IUPAC[1-[2-(dimethylamino)ethyl]triazol-4-yl]methanol
SMILESCN(C)CCn1cc(CO)nn1
InChIInChI=1S/C7H14N4O/c1-10(2)3-4-11-5-7(6-12)8-9-11/h5,12H,3-4,6H2,1-2H3
InChIKeyAKOZWELUPNOSFF-UHFFFAOYSA-N
MW170.22 g/mol
LogP-0.67
Rot. Bonds4

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

[1-[2-(dimethylamino)ethyl]triazol-4-yl]methanol (PubChem CID 62399765) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]triazol-4-yl]methanol
PubChem CID62399765
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name[1-[2-(dimethylamino)ethyl]triazol-4-yl]methanol
SMILESCN(C)CCn1cc(CO)nn1
InChIInChI=1S/C7H14N4O/c1-10(2)3-4-11-5-7(6-12)8-9-11/h5,12H,3-4,6H2,1-2H3
InChIKeyAKOZWELUPNOSFF-UHFFFAOYSA-N
XLogP-0.67
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[2-(dimethylamino)ethyl]triazol-4-yl]-2-methylpropan-2-ol
CID 90931320
[1-[2-(N,4-dimethylanilino)ethyl]triazol-4-yl]methanol
CID 134375658
3-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]propan-1-ol
CID 165456647
2-[4-[(dimethylamino)methyl]triazol-1-yl]-N,N-bis[2-[4-[(dimethylamino)methyl]triazol-1-yl]ethyl]ethanamine
CID 139251714
2-amino-3-[1-[2-(dimethylamino)ethyl]triazol-4-yl]propanoic acid
CID 116734904
[1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride
CID 86262352
2-[1-[3-(dimethylamino)propyl]triazol-4-yl]acetic acid
CID 107461296
[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methanol
CID 103014198
[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methanol
CID 78357904
(1-methyltriazol-4-yl)methanol;tungsten
CID 163298775
N,N,N'-trimethyl-N'-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]ethane-1,2-diamine
CID 63727022
4-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]benzene-1,2-diamine
CID 138618306

Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethyl]triazol-4-yl]methanol?
The IUPAC name of [1-[2-(dimethylamino)ethyl]triazol-4-yl]methanol (CID 62399765) is [1-[2-(dimethylamino)ethyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[2-(dimethylamino)ethyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]triazol-4-yl]methanol is CN(C)CCn1cc(CO)nn1.
What is the InChIKey of [1-[2-(dimethylamino)ethyl]triazol-4-yl]methanol?
The InChIKey is AKOZWELUPNOSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-10(2)3-4-11-5-7(6-12)8-9-11/h5,12H,3-4,6H2,1-2H3.
What are the key properties of [1-[2-(dimethylamino)ethyl]triazol-4-yl]methanol?
[1-[2-(dimethylamino)ethyl]triazol-4-yl]methanol has a molecular weight of 170.22 g/mol, XLogP of -0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethyl]triazol-4-yl]methanol is sourced from PubChem (CID 62399765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).