1-[2-(dimethylamino)ethyl]triazole-4-carboxylic acid;hydrochloride

C7H13ClN4O2 — CID 146049206

IUPAC1-[2-(dimethylamino)ethyl]triazole-4-carboxylic acid;hydrochloride
SMILESCN(C)CCn1cc(C(=O)O)nn1.Cl
InChIInChI=1S/C7H12N4O2.ClH/c1-10(2)3-4-11-5-6(7(12)13)8-9-11;/h5H,3-4H2,1-2H3,(H,12,13);1H
InChIKeyZUOTVAJBZMTERL-UHFFFAOYSA-N
MW220.66 g/mol
LogP-0.04
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]triazole-4-carboxylic acid;hydrochloride

1-[2-(dimethylamino)ethyl]triazole-4-carboxylic acid;hydrochloride (PubChem CID 146049206) has the molecular formula C7H13ClN4O2 and a molecular weight of 220.66 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]triazole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]triazole-4-carboxylic acid;hydrochloride
PubChem CID146049206
Molecular FormulaC7H13ClN4O2
Molecular Weight220.66 g/mol
Exact Mass220.07
IUPAC Name1-[2-(dimethylamino)ethyl]triazole-4-carboxylic acid;hydrochloride
SMILESCN(C)CCn1cc(C(=O)O)nn1.Cl
InChIInChI=1S/C7H12N4O2.ClH/c1-10(2)3-4-11-5-6(7(12)13)8-9-11;/h5H,3-4H2,1-2H3,(H,12,13);1H
InChIKeyZUOTVAJBZMTERL-UHFFFAOYSA-N
XLogP-0.04
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]triazole-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-[2-(dimethylamino)ethyl]triazole-4-carboxylic acid;hydrochloride (CID 146049206) is 1-[2-(dimethylamino)ethyl]triazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]triazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]triazole-4-carboxylic acid;hydrochloride is CN(C)CCn1cc(C(=O)O)nn1.Cl.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]triazole-4-carboxylic acid;hydrochloride?
The InChIKey is ZUOTVAJBZMTERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2.ClH/c1-10(2)3-4-11-5-6(7(12)13)8-9-11;/h5H,3-4H2,1-2H3,(H,12,13);1H.
What are the key properties of 1-[2-(dimethylamino)ethyl]triazole-4-carboxylic acid;hydrochloride?
1-[2-(dimethylamino)ethyl]triazole-4-carboxylic acid;hydrochloride has a molecular weight of 220.66 g/mol, XLogP of -0.04, 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]triazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 146049206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).