2-[5-(3-ethyl-6-methylpyridazin-4-yl)tetrazol-1-yl]acetic acid

C10H12N6O2 — CID 104673061

IUPAC2-[5-(3-ethyl-6-methylpyridazin-4-yl)tetrazol-1-yl]acetic acid
SMILESCCc1nnc(C)cc1-c1nnnn1CC(=O)O
InChIInChI=1S/C10H12N6O2/c1-3-8-7(4-6(2)11-12-8)10-13-14-15-16(10)5-9(17)18/h4H,3,5H2,1-2H3,(H,17,18)
InChIKeyDIQRLDRHIVKRES-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.09
Rot. Bonds4

About 2-[5-(3-ethyl-6-methylpyridazin-4-yl)tetrazol-1-yl]acetic acid

2-[5-(3-ethyl-6-methylpyridazin-4-yl)tetrazol-1-yl]acetic acid (PubChem CID 104673061) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-[5-(3-ethyl-6-methylpyridazin-4-yl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(3-ethyl-6-methylpyridazin-4-yl)tetrazol-1-yl]acetic acid
PubChem CID104673061
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name2-[5-(3-ethyl-6-methylpyridazin-4-yl)tetrazol-1-yl]acetic acid
SMILESCCc1nnc(C)cc1-c1nnnn1CC(=O)O
InChIInChI=1S/C10H12N6O2/c1-3-8-7(4-6(2)11-12-8)10-13-14-15-16(10)5-9(17)18/h4H,3,5H2,1-2H3,(H,17,18)
InChIKeyDIQRLDRHIVKRES-UHFFFAOYSA-N
XLogP0.09
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-ethyl-6-methylpyridazin-4-yl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(3-ethyl-6-methylpyridazin-4-yl)tetrazol-1-yl]acetic acid (CID 104673061) is 2-[5-(3-ethyl-6-methylpyridazin-4-yl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(3-ethyl-6-methylpyridazin-4-yl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(3-ethyl-6-methylpyridazin-4-yl)tetrazol-1-yl]acetic acid is CCc1nnc(C)cc1-c1nnnn1CC(=O)O.
What is the InChIKey of 2-[5-(3-ethyl-6-methylpyridazin-4-yl)tetrazol-1-yl]acetic acid?
The InChIKey is DIQRLDRHIVKRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-3-8-7(4-6(2)11-12-8)10-13-14-15-16(10)5-9(17)18/h4H,3,5H2,1-2H3,(H,17,18).
What are the key properties of 2-[5-(3-ethyl-6-methylpyridazin-4-yl)tetrazol-1-yl]acetic acid?
2-[5-(3-ethyl-6-methylpyridazin-4-yl)tetrazol-1-yl]acetic acid has a molecular weight of 248.25 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-ethyl-6-methylpyridazin-4-yl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 104673061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).