2-methyl-3-N-(1-methyltetrazol-5-yl)benzene-6-ide-1,3-dicarboxamide;yttrium

C11H11N6O2Y- — CID 177043614

IUPAC2-methyl-3-N-(1-methyltetrazol-5-yl)benzene-6-ide-1,3-dicarboxamide;yttrium
SMILESCc1c(C(N)=O)[c-]ccc1C(=O)Nc1nnnn1C.[Y]
InChIInChI=1S/C11H11N6O2.Y/c1-6-7(9(12)18)4-3-5-8(6)10(19)13-11-14-15-16-17(11)2;/h3,5H,1-2H3,(H2,12,18)(H,13,14,16,19);/q-1;
InChIKeyMNYOIDODUAMYCO-UHFFFAOYSA-N
MW348.16 g/mol
LogP-0.33
Rot. Bonds3

About 2-methyl-3-N-(1-methyltetrazol-5-yl)benzene-6-ide-1,3-dicarboxamide;yttrium

2-methyl-3-N-(1-methyltetrazol-5-yl)benzene-6-ide-1,3-dicarboxamide;yttrium (PubChem CID 177043614) has the molecular formula C11H11N6O2Y- and a molecular weight of 348.16 g/mol. Its IUPAC name is 2-methyl-3-N-(1-methyltetrazol-5-yl)benzene-6-ide-1,3-dicarboxamide;yttrium.

Molecular Properties

Compound Name2-methyl-3-N-(1-methyltetrazol-5-yl)benzene-6-ide-1,3-dicarboxamide;yttrium
PubChem CID177043614
Molecular FormulaC11H11N6O2Y-
Molecular Weight348.16 g/mol
Exact Mass348.00
IUPAC Name2-methyl-3-N-(1-methyltetrazol-5-yl)benzene-6-ide-1,3-dicarboxamide;yttrium
SMILESCc1c(C(N)=O)[c-]ccc1C(=O)Nc1nnnn1C.[Y]
InChIInChI=1S/C11H11N6O2.Y/c1-6-7(9(12)18)4-3-5-8(6)10(19)13-11-14-15-16-17(11)2;/h3,5H,1-2H3,(H2,12,18)(H,13,14,16,19);/q-1;
InChIKeyMNYOIDODUAMYCO-UHFFFAOYSA-N
XLogP-0.33
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.16
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(1-methyltetrazol-5-yl)benzamide
CID 15029704
4-chloro-3-(dimethylcarbamoylamino)-2-methyl-N-(1-methyltetrazol-5-yl)benzamide
CID 146606392
4-methoxy-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide
CID 118639402
4-methyl-N-(1-methyltetrazol-5-yl)thiophene-3-carboxamide
CID 167770872
(1-methyltetrazol-5-yl)urea
CID 130674530
3-chloro-N-(1-methyltetrazol-5-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
CID 155004954
3-methoxysulfanyl-2-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 118639448
5-bromo-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide
CID 925603
1-methyl-3-(1-methyltetrazol-5-yl)urea
CID 130735572
3-ethylsulfonyl-2-methyl-N-(1-methyltetrazol-5-yl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 166505089
2-(4-methylpyrazol-1-yl)-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134353877
3-fluoro-2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 151659263

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-N-(1-methyltetrazol-5-yl)benzene-6-ide-1,3-dicarboxamide;yttrium?
The IUPAC name of 2-methyl-3-N-(1-methyltetrazol-5-yl)benzene-6-ide-1,3-dicarboxamide;yttrium (CID 177043614) is 2-methyl-3-N-(1-methyltetrazol-5-yl)benzene-6-ide-1,3-dicarboxamide;yttrium.
What is the SMILES notation for 2-methyl-3-N-(1-methyltetrazol-5-yl)benzene-6-ide-1,3-dicarboxamide;yttrium?
The canonical SMILES for 2-methyl-3-N-(1-methyltetrazol-5-yl)benzene-6-ide-1,3-dicarboxamide;yttrium is Cc1c(C(N)=O)[c-]ccc1C(=O)Nc1nnnn1C.[Y].
What is the InChIKey of 2-methyl-3-N-(1-methyltetrazol-5-yl)benzene-6-ide-1,3-dicarboxamide;yttrium?
The InChIKey is MNYOIDODUAMYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N6O2.Y/c1-6-7(9(12)18)4-3-5-8(6)10(19)13-11-14-15-16-17(11)2;/h3,5H,1-2H3,(H2,12,18)(H,13,14,16,19);/q-1;.
What are the key properties of 2-methyl-3-N-(1-methyltetrazol-5-yl)benzene-6-ide-1,3-dicarboxamide;yttrium?
2-methyl-3-N-(1-methyltetrazol-5-yl)benzene-6-ide-1,3-dicarboxamide;yttrium has a molecular weight of 348.16 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-N-(1-methyltetrazol-5-yl)benzene-6-ide-1,3-dicarboxamide;yttrium is sourced from PubChem (CID 177043614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).