2H-tetrazole;2H-tetrazole-5-carboxylic acid

C3H4N8O2 — CID 175789714

IUPAC2H-tetrazole;2H-tetrazole-5-carboxylic acid
SMILESO=C(O)c1nn[nH]n1.c1nn[nH]n1
InChIInChI=1S/C2H2N4O2.CH2N4/c7-2(8)1-3-5-6-4-1;1-2-4-5-3-1/h(H,7,8)(H,3,4,5,6);1H,(H,2,3,4,5)
InChIKeyUCTGSOXTWONCAO-UHFFFAOYSA-N
MW184.12 g/mol
LogP-1.90
Rot. Bonds1

About 2H-tetrazole;2H-tetrazole-5-carboxylic acid

2H-tetrazole;2H-tetrazole-5-carboxylic acid (PubChem CID 175789714) has the molecular formula C3H4N8O2 and a molecular weight of 184.12 g/mol. Its IUPAC name is 2H-tetrazole;2H-tetrazole-5-carboxylic acid.

Molecular Properties

Compound Name2H-tetrazole;2H-tetrazole-5-carboxylic acid
PubChem CID175789714
Molecular FormulaC3H4N8O2
Molecular Weight184.12 g/mol
Exact Mass184.05
IUPAC Name2H-tetrazole;2H-tetrazole-5-carboxylic acid
SMILESO=C(O)c1nn[nH]n1.c1nn[nH]n1
InChIInChI=1S/C2H2N4O2.CH2N4/c7-2(8)1-3-5-6-4-1;1-2-4-5-3-1/h(H,7,8)(H,3,4,5,6);1H,(H,2,3,4,5)
InChIKeyUCTGSOXTWONCAO-UHFFFAOYSA-N
XLogP-1.90
TPSA146.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.12
LogP ≤ 5-1.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2H-tetrazole;2H-tetrazole-5-carboxylic acid?
The IUPAC name of 2H-tetrazole;2H-tetrazole-5-carboxylic acid (CID 175789714) is 2H-tetrazole;2H-tetrazole-5-carboxylic acid.
What is the SMILES notation for 2H-tetrazole;2H-tetrazole-5-carboxylic acid?
The canonical SMILES for 2H-tetrazole;2H-tetrazole-5-carboxylic acid is O=C(O)c1nn[nH]n1.c1nn[nH]n1.
What is the InChIKey of 2H-tetrazole;2H-tetrazole-5-carboxylic acid?
The InChIKey is UCTGSOXTWONCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N4O2.CH2N4/c7-2(8)1-3-5-6-4-1;1-2-4-5-3-1/h(H,7,8)(H,3,4,5,6);1H,(H,2,3,4,5).
What are the key properties of 2H-tetrazole;2H-tetrazole-5-carboxylic acid?
2H-tetrazole;2H-tetrazole-5-carboxylic acid has a molecular weight of 184.12 g/mol, XLogP of -1.90, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-tetrazole;2H-tetrazole-5-carboxylic acid is sourced from PubChem (CID 175789714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).