2-[4-(tetrazol-5-ylidene)-1-pyridinyl]acetic acid

C8H7N5O2 — CID 102508547

IUPAC2-[4-(tetrazol-5-ylidene)-1-pyridinyl]acetic acid
SMILESO=C(O)CN1C=CC(=C2N=NN=N2)C=C1
InChIInChI=1S/C8H7N5O2/c14-7(15)5-13-3-1-6(2-4-13)8-9-11-12-10-8/h1-4H,5H2,(H,14,15)
InChIKeyDDEOYBIXMAIGAR-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.46
Rot. Bonds2

About 2-[4-(tetrazol-5-ylidene)-1-pyridinyl]acetic acid

2-[4-(tetrazol-5-ylidene)-1-pyridinyl]acetic acid (PubChem CID 102508547) has the molecular formula C8H7N5O2 and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-[4-(tetrazol-5-ylidene)-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-(tetrazol-5-ylidene)-1-pyridinyl]acetic acid
PubChem CID102508547
Molecular FormulaC8H7N5O2
Molecular Weight205.18 g/mol
Exact Mass205.06
IUPAC Name2-[4-(tetrazol-5-ylidene)-1-pyridinyl]acetic acid
SMILESO=C(O)CN1C=CC(=C2N=NN=N2)C=C1
InChIInChI=1S/C8H7N5O2/c14-7(15)5-13-3-1-6(2-4-13)8-9-11-12-10-8/h1-4H,5H2,(H,14,15)
InChIKeyDDEOYBIXMAIGAR-UHFFFAOYSA-N
XLogP1.46
TPSA89.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(tetrazol-5-ylidene)-1-pyridinyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(benzimidazol-2-ylidene)-1-pyridinyl]acetic acid
CID 126419139
2-[(2Z,5Z,8Z,11Z)-4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododeca-2,5,8,11-tetraen-1-yl]acetic acid
CID 141341834
2-[5-(1-ethyl-4-pyridinylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 11970892
2-(4H-pyrimidin-1-yl)acetic acid
CID 67541125
2-[4-(carboxymethyl)-2,3-dioxopyrazin-1-yl]acetic acid
CID 95916407
2-(5-hydroxyimidazol-1-yl)acetic acid
CID 68719528
2-(4-ethyl-2,2-dioxo-[1,2,5]thiadiazolo[3,4-b]pyridin-1-yl)acetic acid
CID 139035316
2-(2-methylimidazol-1-yl)acetic acid;zinc
CID 175370537
methane;2-(5-methylimidazol-1-yl)acetic acid
CID 159313681
2-(2-sulfanylidene-4H-imidazol-3-yl)acetic acid
CID 87554951
2-(3-ethyl-5-methylpyrazol-1-yl)acetic acid
CID 83635686
2-[3,4,6-tris(carboxymethyl)-2,5-dioxo-3a,6a-dihydroimidazo[4,5-d]imidazol-1-yl]acetic acid
CID 122583241

Frequently Asked Questions

What is the IUPAC name of 2-[4-(tetrazol-5-ylidene)-1-pyridinyl]acetic acid?
The IUPAC name of 2-[4-(tetrazol-5-ylidene)-1-pyridinyl]acetic acid (CID 102508547) is 2-[4-(tetrazol-5-ylidene)-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-(tetrazol-5-ylidene)-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-(tetrazol-5-ylidene)-1-pyridinyl]acetic acid is O=C(O)CN1C=CC(=C2N=NN=N2)C=C1.
What is the InChIKey of 2-[4-(tetrazol-5-ylidene)-1-pyridinyl]acetic acid?
The InChIKey is DDEOYBIXMAIGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2/c14-7(15)5-13-3-1-6(2-4-13)8-9-11-12-10-8/h1-4H,5H2,(H,14,15).
What are the key properties of 2-[4-(tetrazol-5-ylidene)-1-pyridinyl]acetic acid?
2-[4-(tetrazol-5-ylidene)-1-pyridinyl]acetic acid has a molecular weight of 205.18 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tetrazol-5-ylidene)-1-pyridinyl]acetic acid is sourced from PubChem (CID 102508547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).