2-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]acetic acid

C10H14N6O2 — CID 107461773

IUPAC2-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]acetic acid
SMILESCCCn1ncnc1Cn1cc(CC(=O)O)nn1
InChIInChI=1S/C10H14N6O2/c1-2-3-16-9(11-7-12-16)6-15-5-8(13-14-15)4-10(17)18/h5,7H,2-4,6H2,1H3,(H,17,18)
InChIKeyQTKGQWAZGVJMFE-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.05
Rot. Bonds6

About 2-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]acetic acid

2-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]acetic acid (PubChem CID 107461773) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]acetic acid
PubChem CID107461773
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name2-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]acetic acid
SMILESCCCn1ncnc1Cn1cc(CC(=O)O)nn1
InChIInChI=1S/C10H14N6O2/c1-2-3-16-9(11-7-12-16)6-15-5-8(13-14-15)4-10(17)18/h5,7H,2-4,6H2,1H3,(H,17,18)
InChIKeyQTKGQWAZGVJMFE-UHFFFAOYSA-N
XLogP-0.05
TPSA98.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]acetamide
CID 114778203
2-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]acetic acid
CID 107461851
2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]acetic acid
CID 107461789
2-(1-heptyltriazol-4-yl)acetic acid
CID 107461252
4-(1-bromopropyl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazole
CID 113482860
2-amino-3-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]propanoic acid
CID 116734992
2-amino-N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]acetamide
CID 114778855
2-[1-[(2-methyltetrazol-5-yl)methyl]triazol-4-yl]acetic acid
CID 107461559
1-(2-propyl-1,2,4-triazol-3-yl)heptan-2-one
CID 115779985
2-[1-(3-methylsulfanylpropyl)triazol-4-yl]acetic acid
CID 107461478
2-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]acetic acid
CID 107461479
2-[1-(3-hydroxybutyl)triazol-4-yl]acetic acid
CID 107461319

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]acetic acid?
The IUPAC name of 2-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]acetic acid (CID 107461773) is 2-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]acetic acid is CCCn1ncnc1Cn1cc(CC(=O)O)nn1.
What is the InChIKey of 2-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]acetic acid?
The InChIKey is QTKGQWAZGVJMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-2-3-16-9(11-7-12-16)6-15-5-8(13-14-15)4-10(17)18/h5,7H,2-4,6H2,1H3,(H,17,18).
What are the key properties of 2-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]acetic acid?
2-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]acetic acid has a molecular weight of 250.26 g/mol, XLogP of -0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]acetic acid is sourced from PubChem (CID 107461773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).