potassium 5-aminotetrazole-1-carboxylate

C2H2KN5O2 — CID 23715559

IUPACpotassium 5-aminotetrazole-1-carboxylate
SMILESNc1nnnn1C(=O)[O-].[K+]
InChIInChI=1S/C2H3N5O2.K/c3-1-4-5-6-7(1)2(8)9;/h(H,8,9)(H2,3,4,6);/q;+1/p-1
InChIKeyMPCQKZZDIRKEEW-UHFFFAOYSA-M
MW167.17 g/mol
LogP-5.55
Rot. Bonds

About potassium 5-aminotetrazole-1-carboxylate

potassium 5-aminotetrazole-1-carboxylate (PubChem CID 23715559) has the molecular formula C2H2KN5O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is potassium 5-aminotetrazole-1-carboxylate.

Molecular Properties

Compound Namepotassium 5-aminotetrazole-1-carboxylate
PubChem CID23715559
Molecular FormulaC2H2KN5O2
Molecular Weight167.17 g/mol
Exact Mass166.98
IUPAC Namepotassium 5-aminotetrazole-1-carboxylate
SMILESNc1nnnn1C(=O)[O-].[K+]
InChIInChI=1S/C2H3N5O2.K/c3-1-4-5-6-7(1)2(8)9;/h(H,8,9)(H2,3,4,6);/q;+1/p-1
InChIKeyMPCQKZZDIRKEEW-UHFFFAOYSA-M
XLogP-5.55
TPSA109.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-5.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amidotetrazole', 'substructure': 'N/A'}

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Related Compounds

2-(5-aminotetrazol-1-yl)acetamide
CID 55281963
1-[(2Z)-4-methylpenta-2,4-dien-2-yl]tetrazol-5-amine
CID 89322385
(5-aminotetrazol-1-yl) nitrate
CID 70017504
nitric acid;tetrazole-1,5-diamine
CID 13378165
2-(5-aminotetrazol-1-yl)-N,N-dimethylacetamide
CID 79506797
methyl 3-(5-aminotetrazol-1-yl)propanoate
CID 79006130
copper bis(1-chlorotetrazole-5-carboxylate)
CID 70469364
(Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
CID 7363983
potassium;gadolinium(3+);dicarbonate
CID 15348000
methyl (2S)-2-(5-aminotetrazol-1-yl)-4-methylpentanoate
CID 71606975
(5-methyltetrazol-1-yl)-(tetrazol-1-yl)methanone
CID 87803805
1-azidotetrazol-5-amine;zinc
CID 175217844

Frequently Asked Questions

What is the IUPAC name of potassium 5-aminotetrazole-1-carboxylate?
The IUPAC name of potassium 5-aminotetrazole-1-carboxylate (CID 23715559) is potassium 5-aminotetrazole-1-carboxylate.
What is the SMILES notation for potassium 5-aminotetrazole-1-carboxylate?
The canonical SMILES for potassium 5-aminotetrazole-1-carboxylate is Nc1nnnn1C(=O)[O-].[K+].
What is the InChIKey of potassium 5-aminotetrazole-1-carboxylate?
The InChIKey is MPCQKZZDIRKEEW-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H3N5O2.K/c3-1-4-5-6-7(1)2(8)9;/h(H,8,9)(H2,3,4,6);/q;+1/p-1.
What are the key properties of potassium 5-aminotetrazole-1-carboxylate?
potassium 5-aminotetrazole-1-carboxylate has a molecular weight of 167.17 g/mol, XLogP of -5.55, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-aminotetrazole-1-carboxylate is sourced from PubChem (CID 23715559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).