3-(1H-imidazol-5-yl)-2-(8-propan-2-yl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid

C19H19N7O2 — CID 57223838

IUPAC3-(1H-imidazol-5-yl)-2-(8-propan-2-yl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid
SMILESCC(C)c1nc(-c2cccnc2)cn2c(C(Cc3cnc[nH]3)C(=O)O)nnc12
InChIInChI=1S/C19H19N7O2/c1-11(2)16-18-25-24-17(14(19(27)28)6-13-8-21-10-22-13)26(18)9-15(23-16)12-4-3-5-20-7-12/h3-5,7-11,14H,6H2,1-2H3,(H,21,22)(H,27,28)
InChIKeyWYPMLALEHUBEEY-UHFFFAOYSA-N
MW377.41 g/mol
LogP2.44
Rot. Bonds6

About 3-(1H-imidazol-5-yl)-2-(8-propan-2-yl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid

3-(1H-imidazol-5-yl)-2-(8-propan-2-yl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid (PubChem CID 57223838) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-2-(8-propan-2-yl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-2-(8-propan-2-yl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid
PubChem CID57223838
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name3-(1H-imidazol-5-yl)-2-(8-propan-2-yl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid
SMILESCC(C)c1nc(-c2cccnc2)cn2c(C(Cc3cnc[nH]3)C(=O)O)nnc12
InChIInChI=1S/C19H19N7O2/c1-11(2)16-18-25-24-17(14(19(27)28)6-13-8-21-10-22-13)26(18)9-15(23-16)12-4-3-5-20-7-12/h3-5,7-11,14H,6H2,1-2H3,(H,21,22)(H,27,28)
InChIKeyWYPMLALEHUBEEY-UHFFFAOYSA-N
XLogP2.44
TPSA121.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(1H-imidazol-5-yl)-2-(8-propan-2-yl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-2-(8-propan-2-yl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid?
The IUPAC name of 3-(1H-imidazol-5-yl)-2-(8-propan-2-yl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid (CID 57223838) is 3-(1H-imidazol-5-yl)-2-(8-propan-2-yl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-2-(8-propan-2-yl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid?
The canonical SMILES for 3-(1H-imidazol-5-yl)-2-(8-propan-2-yl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid is CC(C)c1nc(-c2cccnc2)cn2c(C(Cc3cnc[nH]3)C(=O)O)nnc12.
What is the InChIKey of 3-(1H-imidazol-5-yl)-2-(8-propan-2-yl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid?
The InChIKey is WYPMLALEHUBEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-11(2)16-18-25-24-17(14(19(27)28)6-13-8-21-10-22-13)26(18)9-15(23-16)12-4-3-5-20-7-12/h3-5,7-11,14H,6H2,1-2H3,(H,21,22)(H,27,28).
What are the key properties of 3-(1H-imidazol-5-yl)-2-(8-propan-2-yl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid?
3-(1H-imidazol-5-yl)-2-(8-propan-2-yl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid has a molecular weight of 377.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-2-(8-propan-2-yl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid is sourced from PubChem (CID 57223838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).