2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]acetic acid

C10H13N5O2 — CID 107461871

IUPAC2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]acetic acid
SMILESCn1cc(CCn2cc(CC(=O)O)nn2)cn1
InChIInChI=1S/C10H13N5O2/c1-14-6-8(5-11-14)2-3-15-7-9(12-13-15)4-10(16)17/h5-7H,2-4H2,1H3,(H,16,17)
InChIKeyGTECATASDNZNAZ-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.12
Rot. Bonds5

About 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]acetic acid

2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]acetic acid (PubChem CID 107461871) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]acetic acid
PubChem CID107461871
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]acetic acid
SMILESCn1cc(CCn2cc(CC(=O)O)nn2)cn1
InChIInChI=1S/C10H13N5O2/c1-14-6-8(5-11-14)2-3-15-7-9(12-13-15)4-10(16)17/h5-7H,2-4H2,1H3,(H,16,17)
InChIKeyGTECATASDNZNAZ-UHFFFAOYSA-N
XLogP-0.12
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methanol
CID 103014198
2-amino-3-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]propanoic acid
CID 103014103
2-[1-[2-[2-[2-[2-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]acetic acid
CID 167983353
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 103014130
2-[1-(3-hydroxybutyl)triazol-4-yl]acetic acid
CID 107461319
2-(1-heptyltriazol-4-yl)acetic acid
CID 107461252
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]propan-2-ol
CID 103014205
2-[1-(3-fluoropropyl)triazol-4-yl]acetic acid
CID 107461782
2-[1-(3-aminopropyl)triazol-4-yl]acetic acid
CID 107461829
2-[1-(3-methylsulfanylpropyl)triazol-4-yl]acetic acid
CID 107461478
2-[1-[3-(dimethylamino)propyl]triazol-4-yl]acetic acid
CID 107461296

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]acetic acid (CID 107461871) is 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]acetic acid is Cn1cc(CCn2cc(CC(=O)O)nn2)cn1.
What is the InChIKey of 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]acetic acid?
The InChIKey is GTECATASDNZNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-14-6-8(5-11-14)2-3-15-7-9(12-13-15)4-10(16)17/h5-7H,2-4H2,1H3,(H,16,17).
What are the key properties of 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]acetic acid?
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]acetic acid has a molecular weight of 235.25 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]acetic acid is sourced from PubChem (CID 107461871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).