4-(tetrazolo[1,5-a]pyrazin-4-ium-4-yl)piperazine-1-carboxylic acid

C9H12N7O2+ — CID 67393989

IUPAC4-(tetrazolo[1,5-a]pyrazin-4-ium-4-yl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN([N+]23C=CN=CC2=NN=N3)CC1
InChIInChI=1S/C9H11N7O2/c17-9(18)14-2-4-15(5-3-14)16-6-1-10-7-8(16)11-12-13-16/h1,6-7H,2-5H2/p+1
InChIKeyYSERIFBAQNULEE-UHFFFAOYSA-O
MW250.24 g/mol
LogP0.26
Rot. Bonds1

About 4-(tetrazolo[1,5-a]pyrazin-4-ium-4-yl)piperazine-1-carboxylic acid

4-(tetrazolo[1,5-a]pyrazin-4-ium-4-yl)piperazine-1-carboxylic acid (PubChem CID 67393989) has the molecular formula C9H12N7O2+ and a molecular weight of 250.24 g/mol. Its IUPAC name is 4-(tetrazolo[1,5-a]pyrazin-4-ium-4-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(tetrazolo[1,5-a]pyrazin-4-ium-4-yl)piperazine-1-carboxylic acid
PubChem CID67393989
Molecular FormulaC9H12N7O2+
Molecular Weight250.24 g/mol
Exact Mass250.10
IUPAC Name4-(tetrazolo[1,5-a]pyrazin-4-ium-4-yl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN([N+]23C=CN=CC2=NN=N3)CC1
InChIInChI=1S/C9H11N7O2/c17-9(18)14-2-4-15(5-3-14)16-6-1-10-7-8(16)11-12-13-16/h1,6-7H,2-5H2/p+1
InChIKeyYSERIFBAQNULEE-UHFFFAOYSA-O
XLogP0.26
TPSA93.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

4-(tetrazolo[1,5-a]pyrazin-4-ium-4-yl)piperazine-1-carboxylate
CID 67393988
1-[4-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone
CID 67363171
10-[[4-[(4,7,10-tricarboxy-1,4,7,10-tetrazacyclododec-1-yl)methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid
CID 101418290
1-[4-(3-bromo-4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone;methanol
CID 71074953
oxalic acid;piperidine-1-carboxylic acid
CID 158853542
2,4-dihydroimidazole-3-carboxylic acid
CID 57020925
4-(2-formylimidazo[1,2-c]pyrimidin-5-yl)piperazine-1-carboxylic acid
CID 129249563
4-(2-phenylpropanoyl)piperazine-1-carboxylic acid
CID 123978290
piperidine-1-carboxylic acid;styrene
CID 174300067
iodomethane;piperidine-1-carboxylic acid
CID 159672368
4-methylpiperazine-1-carboxylic acid;hydrochloride
CID 70630580
4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylic acid
CID 67493364

Frequently Asked Questions

What is the IUPAC name of 4-(tetrazolo[1,5-a]pyrazin-4-ium-4-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(tetrazolo[1,5-a]pyrazin-4-ium-4-yl)piperazine-1-carboxylic acid (CID 67393989) is 4-(tetrazolo[1,5-a]pyrazin-4-ium-4-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(tetrazolo[1,5-a]pyrazin-4-ium-4-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(tetrazolo[1,5-a]pyrazin-4-ium-4-yl)piperazine-1-carboxylic acid is O=C(O)N1CCN([N+]23C=CN=CC2=NN=N3)CC1.
What is the InChIKey of 4-(tetrazolo[1,5-a]pyrazin-4-ium-4-yl)piperazine-1-carboxylic acid?
The InChIKey is YSERIFBAQNULEE-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H11N7O2/c17-9(18)14-2-4-15(5-3-14)16-6-1-10-7-8(16)11-12-13-16/h1,6-7H,2-5H2/p+1.
What are the key properties of 4-(tetrazolo[1,5-a]pyrazin-4-ium-4-yl)piperazine-1-carboxylic acid?
4-(tetrazolo[1,5-a]pyrazin-4-ium-4-yl)piperazine-1-carboxylic acid has a molecular weight of 250.24 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tetrazolo[1,5-a]pyrazin-4-ium-4-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 67393989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).