hydron;2-(2H-tetrazol-5-yl)acetic acid

C3H5N4O2+ — CID 174732621

IUPAChydron;2-(2H-tetrazol-5-yl)acetic acid
SMILESO=C(O)Cc1nn[nH]n1.[H+]
InChIInChI=1S/C3H4N4O2/c8-3(9)1-2-4-6-7-5-2/h1H2,(H,8,9)(H,4,5,6,7)/p+1
InChIKeyJUNAPQMUUHSYOV-UHFFFAOYSA-O
MW129.10 g/mol
LogP-1.06
Rot. Bonds2

About hydron;2-(2H-tetrazol-5-yl)acetic acid

hydron;2-(2H-tetrazol-5-yl)acetic acid (PubChem CID 174732621) has the molecular formula C3H5N4O2+ and a molecular weight of 129.10 g/mol. Its IUPAC name is hydron;2-(2H-tetrazol-5-yl)acetic acid.

Molecular Properties

Compound Namehydron;2-(2H-tetrazol-5-yl)acetic acid
PubChem CID174732621
Molecular FormulaC3H5N4O2+
Molecular Weight129.10 g/mol
Exact Mass129.04
IUPAC Namehydron;2-(2H-tetrazol-5-yl)acetic acid
SMILESO=C(O)Cc1nn[nH]n1.[H+]
InChIInChI=1S/C3H4N4O2/c8-3(9)1-2-4-6-7-5-2/h1H2,(H,8,9)(H,4,5,6,7)/p+1
InChIKeyJUNAPQMUUHSYOV-UHFFFAOYSA-O
XLogP-1.06
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.10
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

lanthanum;tris(2-(2H-tetrazol-5-yl)acetic acid)
CID 156633731
iron;2-(2H-tetrazol-5-yl)acetic acid;zinc
CID 175714955
2-cyanoacetic acid;2-(2H-tetrazol-5-yl)acetic acid
CID 159042084
ethane;1-(2H-tetrazol-5-yl)propan-2-one
CID 156809476
2-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]acetic acid
CID 110498043
2-(2H-tetrazol-5-yl)-N-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]acetamide
CID 22307052
1,1'-biphenyl;1-(2H-tetrazol-5-yl)propan-2-one
CID 175092025
N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110496403
2H-tetrazol-5-ylmethyl carbamate
CID 175043654
1-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)ethanone
CID 902451
2-[carboxymethyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]acetic acid
CID 63645154
N-ethyl-N-phenyl-2-(2H-tetrazol-5-yl)acetamide
CID 110498051

Frequently Asked Questions

What is the IUPAC name of hydron;2-(2H-tetrazol-5-yl)acetic acid?
The IUPAC name of hydron;2-(2H-tetrazol-5-yl)acetic acid (CID 174732621) is hydron;2-(2H-tetrazol-5-yl)acetic acid.
What is the SMILES notation for hydron;2-(2H-tetrazol-5-yl)acetic acid?
The canonical SMILES for hydron;2-(2H-tetrazol-5-yl)acetic acid is O=C(O)Cc1nn[nH]n1.[H+].
What is the InChIKey of hydron;2-(2H-tetrazol-5-yl)acetic acid?
The InChIKey is JUNAPQMUUHSYOV-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H4N4O2/c8-3(9)1-2-4-6-7-5-2/h1H2,(H,8,9)(H,4,5,6,7)/p+1.
What are the key properties of hydron;2-(2H-tetrazol-5-yl)acetic acid?
hydron;2-(2H-tetrazol-5-yl)acetic acid has a molecular weight of 129.10 g/mol, XLogP of -1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2-(2H-tetrazol-5-yl)acetic acid is sourced from PubChem (CID 174732621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).