disodium;N-[3-cyano-5-(2H-tetrazole-5-carbonylamino)phenyl]-2H-tetrazole-5-carboxamide;hydride

C11H9N11Na2O2 — CID 173450419

IUPACdisodium;N-[3-cyano-5-(2H-tetrazole-5-carbonylamino)phenyl]-2H-tetrazole-5-carboxamide;hydride
SMILESN#Cc1cc(NC(=O)c2nn[nH]n2)cc(NC(=O)c2nn[nH]n2)c1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C11H7N11O2.2Na.2H/c12-4-5-1-6(13-10(23)8-15-19-20-16-8)3-7(2-5)14-11(24)9-17-21-22-18-9;;;;/h1-3H,(H,13,23)(H,14,24)(H,15,16,19,20)(H,17,18,21,22);;;;/q;2*+1;2*-1
InChIKeyZNAYPAOBCYNNEX-UHFFFAOYSA-N
MW373.25 g/mol
LogP-6.68
Rot. Bonds4

About disodium;N-[3-cyano-5-(2H-tetrazole-5-carbonylamino)phenyl]-2H-tetrazole-5-carboxamide;hydride

disodium;N-[3-cyano-5-(2H-tetrazole-5-carbonylamino)phenyl]-2H-tetrazole-5-carboxamide;hydride (PubChem CID 173450419) has the molecular formula C11H9N11Na2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is disodium;N-[3-cyano-5-(2H-tetrazole-5-carbonylamino)phenyl]-2H-tetrazole-5-carboxamide;hydride.

Molecular Properties

Compound Namedisodium;N-[3-cyano-5-(2H-tetrazole-5-carbonylamino)phenyl]-2H-tetrazole-5-carboxamide;hydride
PubChem CID173450419
Molecular FormulaC11H9N11Na2O2
Molecular Weight373.25 g/mol
Exact Mass373.07
IUPAC Namedisodium;N-[3-cyano-5-(2H-tetrazole-5-carbonylamino)phenyl]-2H-tetrazole-5-carboxamide;hydride
SMILESN#Cc1cc(NC(=O)c2nn[nH]n2)cc(NC(=O)c2nn[nH]n2)c1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C11H7N11O2.2Na.2H/c12-4-5-1-6(13-10(23)8-15-19-20-16-8)3-7(2-5)14-11(24)9-17-21-22-18-9;;;;/h1-3H,(H,13,23)(H,14,24)(H,15,16,19,20)(H,17,18,21,22);;;;/q;2*+1;2*-1
InChIKeyZNAYPAOBCYNNEX-UHFFFAOYSA-N
XLogP-6.68
TPSA190.91 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 5-6.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3,5-dichloro-4-fluorophenyl)-2H-tetrazole-5-carboxamide
CID 107577373
disodium;N-[2-chloro-3-(2H-tetrazole-5-carbonylamino)-5-(trifluoromethyl)phenyl]-2H-tetrazole-5-carboxamide;hydride
CID 173450412
N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]benzamide
CID 169342731
1-[3-cyano-5-(methylcarbamoylamino)phenyl]-3-methylurea
CID 175053322
N-(3-acetyl-2-hydroxy-5-methylphenyl)-2H-tetrazole-5-carboxamide
CID 135721012
N-(thiadiazol-5-yl)-2H-tetrazole-5-carboxamide
CID 114913673
N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]furan-2-carboxamide
CID 169343785
2,4-dichloro-N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]benzamide
CID 169344301
tert-butyl N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]carbamate
CID 169342388
N-(3-cyano-5-hydroxyphenyl)-4-hydroxybenzamide
CID 162516370
N-nitro-2H-tetrazole-5-carboxamide
CID 170844684
N-(3-chlorophenyl)-3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]benzamide
CID 169346329

Frequently Asked Questions

What is the IUPAC name of disodium;N-[3-cyano-5-(2H-tetrazole-5-carbonylamino)phenyl]-2H-tetrazole-5-carboxamide;hydride?
The IUPAC name of disodium;N-[3-cyano-5-(2H-tetrazole-5-carbonylamino)phenyl]-2H-tetrazole-5-carboxamide;hydride (CID 173450419) is disodium;N-[3-cyano-5-(2H-tetrazole-5-carbonylamino)phenyl]-2H-tetrazole-5-carboxamide;hydride.
What is the SMILES notation for disodium;N-[3-cyano-5-(2H-tetrazole-5-carbonylamino)phenyl]-2H-tetrazole-5-carboxamide;hydride?
The canonical SMILES for disodium;N-[3-cyano-5-(2H-tetrazole-5-carbonylamino)phenyl]-2H-tetrazole-5-carboxamide;hydride is N#Cc1cc(NC(=O)c2nn[nH]n2)cc(NC(=O)c2nn[nH]n2)c1.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;N-[3-cyano-5-(2H-tetrazole-5-carbonylamino)phenyl]-2H-tetrazole-5-carboxamide;hydride?
The InChIKey is ZNAYPAOBCYNNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N11O2.2Na.2H/c12-4-5-1-6(13-10(23)8-15-19-20-16-8)3-7(2-5)14-11(24)9-17-21-22-18-9;;;;/h1-3H,(H,13,23)(H,14,24)(H,15,16,19,20)(H,17,18,21,22);;;;/q;2*+1;2*-1.
What are the key properties of disodium;N-[3-cyano-5-(2H-tetrazole-5-carbonylamino)phenyl]-2H-tetrazole-5-carboxamide;hydride?
disodium;N-[3-cyano-5-(2H-tetrazole-5-carbonylamino)phenyl]-2H-tetrazole-5-carboxamide;hydride has a molecular weight of 373.25 g/mol, XLogP of -6.68, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;N-[3-cyano-5-(2H-tetrazole-5-carbonylamino)phenyl]-2H-tetrazole-5-carboxamide;hydride is sourced from PubChem (CID 173450419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).