2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetic acid;hydrochloride

C6H10ClN3O2 — CID 67010170

IUPAC2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetic acid;hydrochloride
SMILESCc1nc(C)n(CC(=O)O)n1.Cl
InChIInChI=1S/C6H9N3O2.ClH/c1-4-7-5(2)9(8-4)3-6(10)11;/h3H2,1-2H3,(H,10,11);1H
InChIKeyHLVMFJBXAYCLRA-UHFFFAOYSA-N
MW191.62 g/mol
LogP0.40
Rot. Bonds2

About 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetic acid;hydrochloride

2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetic acid;hydrochloride (PubChem CID 67010170) has the molecular formula C6H10ClN3O2 and a molecular weight of 191.62 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetic acid;hydrochloride
PubChem CID67010170
Molecular FormulaC6H10ClN3O2
Molecular Weight191.62 g/mol
Exact Mass191.05
IUPAC Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetic acid;hydrochloride
SMILESCc1nc(C)n(CC(=O)O)n1.Cl
InChIInChI=1S/C6H9N3O2.ClH/c1-4-7-5(2)9(8-4)3-6(10)11;/h3H2,1-2H3,(H,10,11);1H
InChIKeyHLVMFJBXAYCLRA-UHFFFAOYSA-N
XLogP0.40
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetic acid;hydrochloride (CID 67010170) is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetic acid;hydrochloride is Cc1nc(C)n(CC(=O)O)n1.Cl.
What is the InChIKey of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetic acid;hydrochloride?
The InChIKey is HLVMFJBXAYCLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2.ClH/c1-4-7-5(2)9(8-4)3-6(10)11;/h3H2,1-2H3,(H,10,11);1H.
What are the key properties of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetic acid;hydrochloride?
2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetic acid;hydrochloride has a molecular weight of 191.62 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetic acid;hydrochloride is sourced from PubChem (CID 67010170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).