copper bis(1-chlorotetrazole-5-carboxylate)

C4Cl2CuN8O4 — CID 70469364

IUPACcopper bis(1-chlorotetrazole-5-carboxylate)
SMILESO=C([O-])c1nnnn1Cl.O=C([O-])c1nnnn1Cl.[Cu+2]
InChIInChI=1S/2C2HClN4O2.Cu/c2*3-7-1(2(8)9)4-5-6-7;/h2*(H,8,9);/q;;+2/p-2
InChIKeyIQHMVNCUWHTOQJ-UHFFFAOYSA-L
MW358.55 g/mol
LogP-3.93
Rot. Bonds2

About copper bis(1-chlorotetrazole-5-carboxylate)

copper bis(1-chlorotetrazole-5-carboxylate) (PubChem CID 70469364) has the molecular formula C4Cl2CuN8O4 and a molecular weight of 358.55 g/mol. Its IUPAC name is copper bis(1-chlorotetrazole-5-carboxylate).

Molecular Properties

Compound Namecopper bis(1-chlorotetrazole-5-carboxylate)
PubChem CID70469364
Molecular FormulaC4Cl2CuN8O4
Molecular Weight358.55 g/mol
Exact Mass356.87
IUPAC Namecopper bis(1-chlorotetrazole-5-carboxylate)
SMILESO=C([O-])c1nnnn1Cl.O=C([O-])c1nnnn1Cl.[Cu+2]
InChIInChI=1S/2C2HClN4O2.Cu/c2*3-7-1(2(8)9)4-5-6-7;/h2*(H,8,9);/q;;+2/p-2
InChIKeyIQHMVNCUWHTOQJ-UHFFFAOYSA-L
XLogP-3.93
TPSA167.46 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.55
LogP ≤ 5-3.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

azanium 1-nitramidotetrazole-5-carboxylate
CID 162335600
cobalt(3+);bis(1-nitramidotetrazole-5-carboxylate);azide
CID 158718346
1-sulfanyltetrazole-5-carboxylic acid
CID 138470335
1-benzyltetrazole-5-carboxamide
CID 122714819
2-chloro-1-(tetrazolo[1,5-a]pyridin-6-yl)ethanone;hydrochloride
CID 11622761
1-[(4-chlorophenyl)methyl]tetrazole-5-carboxylic acid
CID 23354570
potassium 5-aminotetrazole-1-carboxylate
CID 23715559
1-azidotetrazole-5-carboxylic acid
CID 90273187
1-[1-(methoxymethyl)tetrazol-5-yl]-2-methylpropan-1-one
CID 126726632
1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid
CID 12752372
ethyl 1-[[4-(hydroxymethyl)phenyl]methyl]tetrazole-5-carboxylate
CID 113365960
1-cyclopentyltetrazole-5-carboxylic acid
CID 83875985

Frequently Asked Questions

What is the IUPAC name of copper bis(1-chlorotetrazole-5-carboxylate)?
The IUPAC name of copper bis(1-chlorotetrazole-5-carboxylate) (CID 70469364) is copper bis(1-chlorotetrazole-5-carboxylate).
What is the SMILES notation for copper bis(1-chlorotetrazole-5-carboxylate)?
The canonical SMILES for copper bis(1-chlorotetrazole-5-carboxylate) is O=C([O-])c1nnnn1Cl.O=C([O-])c1nnnn1Cl.[Cu+2].
What is the InChIKey of copper bis(1-chlorotetrazole-5-carboxylate)?
The InChIKey is IQHMVNCUWHTOQJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2HClN4O2.Cu/c2*3-7-1(2(8)9)4-5-6-7;/h2*(H,8,9);/q;;+2/p-2.
What are the key properties of copper bis(1-chlorotetrazole-5-carboxylate)?
copper bis(1-chlorotetrazole-5-carboxylate) has a molecular weight of 358.55 g/mol, XLogP of -3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(1-chlorotetrazole-5-carboxylate) is sourced from PubChem (CID 70469364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).