2-(3-methyltriazol-4-yl)acetic acid;hydrochloride

C5H8ClN3O2 — CID 138040664

IUPAC2-(3-methyltriazol-4-yl)acetic acid;hydrochloride
SMILESCl.Cn1nncc1CC(=O)O
InChIInChI=1S/C5H7N3O2.ClH/c1-8-4(2-5(9)10)3-6-7-8;/h3H,2H2,1H3,(H,9,10);1H
InChIKeyWRCIRZBTPZRCPZ-UHFFFAOYSA-N
MW177.59 g/mol
LogP-0.14
Rot. Bonds2

About 2-(3-methyltriazol-4-yl)acetic acid;hydrochloride

2-(3-methyltriazol-4-yl)acetic acid;hydrochloride (PubChem CID 138040664) has the molecular formula C5H8ClN3O2 and a molecular weight of 177.59 g/mol. Its IUPAC name is 2-(3-methyltriazol-4-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(3-methyltriazol-4-yl)acetic acid;hydrochloride
PubChem CID138040664
Molecular FormulaC5H8ClN3O2
Molecular Weight177.59 g/mol
Exact Mass177.03
IUPAC Name2-(3-methyltriazol-4-yl)acetic acid;hydrochloride
SMILESCl.Cn1nncc1CC(=O)O
InChIInChI=1S/C5H7N3O2.ClH/c1-8-4(2-5(9)10)3-6-7-8;/h3H,2H2,1H3,(H,9,10);1H
InChIKeyWRCIRZBTPZRCPZ-UHFFFAOYSA-N
XLogP-0.14
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.59
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-1,2,3-Triazol-4-yl)acetic acid
CID 19980995
2-[1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]acetic acid
CID 59680732
2-(1-Pentyltriazol-4-yl)acetic acid
CID 70690726
2-(1-Dodecyltriazol-4-yl)acetic acid
CID 70694908
2-(1-Undecyltriazol-4-yl)acetic acid
CID 71723587
2-(1-ethyl-1H-1,2,3-triazol-4-yl)acetic acid hydrochloride
CID 132300818
2-(1-methyl-1H-1,2,3-triazol-4-yl)acetic acid hydrochloride
CID 132344527
lithium 2,2-difluoro-2-(1-methyl-1H-1,2,3-triazol-5-yl)acetate
CID 137964630
2-amino-2-(1-methyl-1H-1,2,3-triazol-4-yl)acetic acid hydrochloride
CID 139022308
3-methyl-2-(1-methyl-1H-1,2,3-triazol-4-yl)butanoic acid hydrochloride
CID 165605461
2-(1-Methyl-1H-1,2,3-triazol-4-yl)acetic acid
CID 58281215
2-(1-ethyl-1H-1,2,3-triazol-4-yl)acetic acid
CID 67477111

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyltriazol-4-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(3-methyltriazol-4-yl)acetic acid;hydrochloride (CID 138040664) is 2-(3-methyltriazol-4-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(3-methyltriazol-4-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(3-methyltriazol-4-yl)acetic acid;hydrochloride is Cl.Cn1nncc1CC(=O)O.
What is the InChIKey of 2-(3-methyltriazol-4-yl)acetic acid;hydrochloride?
The InChIKey is WRCIRZBTPZRCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2.ClH/c1-8-4(2-5(9)10)3-6-7-8;/h3H,2H2,1H3,(H,9,10);1H.
What are the key properties of 2-(3-methyltriazol-4-yl)acetic acid;hydrochloride?
2-(3-methyltriazol-4-yl)acetic acid;hydrochloride has a molecular weight of 177.59 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyltriazol-4-yl)acetic acid;hydrochloride is sourced from PubChem (CID 138040664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).