5-amino-1,2-dihydrotetrazole-5-carboxylic acid

C2H5N5O2 — CID 139257961

IUPAC5-amino-1,2-dihydrotetrazole-5-carboxylic acid
SMILESNC1(C(=O)O)N=NNN1
InChIInChI=1S/C2H5N5O2/c3-2(1(8)9)4-6-7-5-2/h3H2,(H,4,7)(H,5,6)(H,8,9)
InChIKeyPMMCMVQGJMPRKV-UHFFFAOYSA-N
MW131.09 g/mol
LogP-1.84
Rot. Bonds1

About 5-amino-1,2-dihydrotetrazole-5-carboxylic acid

5-amino-1,2-dihydrotetrazole-5-carboxylic acid (PubChem CID 139257961) has the molecular formula C2H5N5O2 and a molecular weight of 131.09 g/mol. Its IUPAC name is 5-amino-1,2-dihydrotetrazole-5-carboxylic acid.

Molecular Properties

Compound Name5-amino-1,2-dihydrotetrazole-5-carboxylic acid
PubChem CID139257961
Molecular FormulaC2H5N5O2
Molecular Weight131.09 g/mol
Exact Mass131.04
IUPAC Name5-amino-1,2-dihydrotetrazole-5-carboxylic acid
SMILESNC1(C(=O)O)N=NNN1
InChIInChI=1S/C2H5N5O2/c3-2(1(8)9)4-6-7-5-2/h3H2,(H,4,7)(H,5,6)(H,8,9)
InChIKeyPMMCMVQGJMPRKV-UHFFFAOYSA-N
XLogP-1.84
TPSA112.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.09
LogP ≤ 5-1.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1,2-dihydrotetrazole-5-carboxylic acid?
The IUPAC name of 5-amino-1,2-dihydrotetrazole-5-carboxylic acid (CID 139257961) is 5-amino-1,2-dihydrotetrazole-5-carboxylic acid.
What is the SMILES notation for 5-amino-1,2-dihydrotetrazole-5-carboxylic acid?
The canonical SMILES for 5-amino-1,2-dihydrotetrazole-5-carboxylic acid is NC1(C(=O)O)N=NNN1.
What is the InChIKey of 5-amino-1,2-dihydrotetrazole-5-carboxylic acid?
The InChIKey is PMMCMVQGJMPRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N5O2/c3-2(1(8)9)4-6-7-5-2/h3H2,(H,4,7)(H,5,6)(H,8,9).
What are the key properties of 5-amino-1,2-dihydrotetrazole-5-carboxylic acid?
5-amino-1,2-dihydrotetrazole-5-carboxylic acid has a molecular weight of 131.09 g/mol, XLogP of -1.84, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,2-dihydrotetrazole-5-carboxylic acid is sourced from PubChem (CID 139257961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).