4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)butanoic acid

C10H10N6O2 — CID 147723950

IUPAC4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)butanoic acid
SMILESO=C(O)CCCc1nnc(-c2ncccn2)nn1
InChIInChI=1S/C10H10N6O2/c17-8(18)4-1-3-7-13-15-10(16-14-7)9-11-5-2-6-12-9/h2,5-6H,1,3-4H2,(H,17,18)
InChIKeyGXCNUFYBQHXSJZ-UHFFFAOYSA-N
MW246.23 g/mol
LogP0.13
Rot. Bonds5

About 4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)butanoic acid

4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)butanoic acid (PubChem CID 147723950) has the molecular formula C10H10N6O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)butanoic acid
PubChem CID147723950
Molecular FormulaC10H10N6O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)butanoic acid
SMILESO=C(O)CCCc1nnc(-c2ncccn2)nn1
InChIInChI=1S/C10H10N6O2/c17-8(18)4-1-3-7-13-15-10(16-14-7)9-11-5-2-6-12-9/h2,5-6H,1,3-4H2,(H,17,18)
InChIKeyGXCNUFYBQHXSJZ-UHFFFAOYSA-N
XLogP0.13
TPSA114.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)butanoic acid?
The IUPAC name of 4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)butanoic acid (CID 147723950) is 4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)butanoic acid.
What is the SMILES notation for 4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)butanoic acid?
The canonical SMILES for 4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)butanoic acid is O=C(O)CCCc1nnc(-c2ncccn2)nn1.
What is the InChIKey of 4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)butanoic acid?
The InChIKey is GXCNUFYBQHXSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O2/c17-8(18)4-1-3-7-13-15-10(16-14-7)9-11-5-2-6-12-9/h2,5-6H,1,3-4H2,(H,17,18).
What are the key properties of 4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)butanoic acid?
4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)butanoic acid has a molecular weight of 246.23 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)butanoic acid is sourced from PubChem (CID 147723950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).