2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]acetic acid

C11H10N6O2 — CID 107461745

IUPAC2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn(Cc2cn3cccnc3n2)nn1
InChIInChI=1S/C11H10N6O2/c18-10(19)4-8-6-17(15-14-8)7-9-5-16-3-1-2-12-11(16)13-9/h1-3,5-6H,4,7H2,(H,18,19)
InChIKeyXSSHURLYZXRBGE-UHFFFAOYSA-N
MW258.24 g/mol
LogP-0.00
Rot. Bonds4

About 2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]acetic acid

2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]acetic acid (PubChem CID 107461745) has the molecular formula C11H10N6O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]acetic acid
PubChem CID107461745
Molecular FormulaC11H10N6O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Name2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn(Cc2cn3cccnc3n2)nn1
InChIInChI=1S/C11H10N6O2/c18-10(19)4-8-6-17(15-14-8)7-9-5-16-3-1-2-12-11(16)13-9/h1-3,5-6H,4,7H2,(H,18,19)
InChIKeyXSSHURLYZXRBGE-UHFFFAOYSA-N
XLogP-0.00
TPSA98.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]methyl]cyclohexan-1-ol
CID 126825652
2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)phenyl]acetic acid
CID 43310274
2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazol-4-yl]acetic acid
CID 107461681
2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenyl]acetic acid
CID 64929348
5-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazole-4-carboxylic acid
CID 62060125
2-[1-(quinolin-2-ylmethyl)triazol-4-yl]acetic acid
CID 107461815
(3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420023
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]acetic acid
CID 107461617
2-[1-[(5-fluoroquinolin-8-yl)methyl]triazol-4-yl]acetic acid
CID 107461284
2-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]acetic acid
CID 107461356
3-[1-(pyridin-2-ylmethyl)triazol-4-yl]propanoic acid
CID 107460904
2-[1-[(5-bromofuran-2-yl)methyl]triazol-4-yl]acetic acid
CID 107461848

Frequently Asked Questions

What is the IUPAC name of 2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]acetic acid (CID 107461745) is 2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]acetic acid is O=C(O)Cc1cn(Cc2cn3cccnc3n2)nn1.
What is the InChIKey of 2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]acetic acid?
The InChIKey is XSSHURLYZXRBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O2/c18-10(19)4-8-6-17(15-14-8)7-9-5-16-3-1-2-12-11(16)13-9/h1-3,5-6H,4,7H2,(H,18,19).
What are the key properties of 2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]acetic acid?
2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]acetic acid has a molecular weight of 258.24 g/mol, XLogP of -0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]acetic acid is sourced from PubChem (CID 107461745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).