2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazol-4-yl]acetic acid

C13H14N6O2 — CID 107461681

IUPAC2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazol-4-yl]acetic acid
SMILESCc1cc(C)n2cc(Cn3cc(CC(=O)O)nn3)nc2n1
InChIInChI=1S/C13H14N6O2/c1-8-3-9(2)19-7-11(15-13(19)14-8)6-18-5-10(16-17-18)4-12(20)21/h3,5,7H,4,6H2,1-2H3,(H,20,21)
InChIKeySQPPPHUGZOWFNS-UHFFFAOYSA-N
MW286.30 g/mol
LogP0.61
Rot. Bonds4

About 2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazol-4-yl]acetic acid

2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazol-4-yl]acetic acid (PubChem CID 107461681) has the molecular formula C13H14N6O2 and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazol-4-yl]acetic acid
PubChem CID107461681
Molecular FormulaC13H14N6O2
Molecular Weight286.30 g/mol
Exact Mass286.12
IUPAC Name2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazol-4-yl]acetic acid
SMILESCc1cc(C)n2cc(Cn3cc(CC(=O)O)nn3)nc2n1
InChIInChI=1S/C13H14N6O2/c1-8-3-9(2)19-7-11(15-13(19)14-8)6-18-5-10(16-17-18)4-12(20)21/h3,5,7H,4,6H2,1-2H3,(H,20,21)
InChIKeySQPPPHUGZOWFNS-UHFFFAOYSA-N
XLogP0.61
TPSA98.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazol-4-yl]acetic acid?
The IUPAC name of 2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazol-4-yl]acetic acid (CID 107461681) is 2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazol-4-yl]acetic acid is Cc1cc(C)n2cc(Cn3cc(CC(=O)O)nn3)nc2n1.
What is the InChIKey of 2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazol-4-yl]acetic acid?
The InChIKey is SQPPPHUGZOWFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2/c1-8-3-9(2)19-7-11(15-13(19)14-8)6-18-5-10(16-17-18)4-12(20)21/h3,5,7H,4,6H2,1-2H3,(H,20,21).
What are the key properties of 2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazol-4-yl]acetic acid?
2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazol-4-yl]acetic acid has a molecular weight of 286.30 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazol-4-yl]acetic acid is sourced from PubChem (CID 107461681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).