dimethyl benzene-1,2-dicarboxylate;tetrazol-1-amine

C11H13N5O4 — CID 175560228

IUPACdimethyl benzene-1,2-dicarboxylate;tetrazol-1-amine
SMILESCOC(=O)c1ccccc1C(=O)OC.Nn1cnnn1
InChIInChI=1S/C10H10O4.CH3N5/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2;2-6-1-3-4-5-6/h3-6H,1-2H3;1H,2H2
InChIKeyJLPOQOAEGIMSNC-UHFFFAOYSA-N
MW279.26 g/mol
LogP-0.35
Rot. Bonds2

About dimethyl benzene-1,2-dicarboxylate;tetrazol-1-amine

dimethyl benzene-1,2-dicarboxylate;tetrazol-1-amine (PubChem CID 175560228) has the molecular formula C11H13N5O4 and a molecular weight of 279.26 g/mol. Its IUPAC name is dimethyl benzene-1,2-dicarboxylate;tetrazol-1-amine.

Molecular Properties

Compound Namedimethyl benzene-1,2-dicarboxylate;tetrazol-1-amine
PubChem CID175560228
Molecular FormulaC11H13N5O4
Molecular Weight279.26 g/mol
Exact Mass279.10
IUPAC Namedimethyl benzene-1,2-dicarboxylate;tetrazol-1-amine
SMILESCOC(=O)c1ccccc1C(=O)OC.Nn1cnnn1
InChIInChI=1S/C10H10O4.CH3N5/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2;2-6-1-3-4-5-6/h3-6H,1-2H3;1H,2H2
InChIKeyJLPOQOAEGIMSNC-UHFFFAOYSA-N
XLogP-0.35
TPSA122.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-hydroxybenzoate;urea
CID 174888687
methyl 2-(2-aminobenzoyl)benzoate
CID 83381352
methyl 2-(tert-butylcarbamoyl)benzoate
CID 108785469
methyl 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzoate
CID 138109724
methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 29136943
methyl 5-[[2-(tetrazol-1-yl)benzoyl]oxymethyl]furan-2-carboxylate
CID 7399392
methyl 2-hydrazinylbenzoate;hydrochloride
CID 71758151
methyl 2-(3-ethoxy-3-oxoprop-1-en-2-yl)benzoate
CID 101193966
lithium;hydride;methyl 2-hydroxybenzoate
CID 173284844
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756

Frequently Asked Questions

What is the IUPAC name of dimethyl benzene-1,2-dicarboxylate;tetrazol-1-amine?
The IUPAC name of dimethyl benzene-1,2-dicarboxylate;tetrazol-1-amine (CID 175560228) is dimethyl benzene-1,2-dicarboxylate;tetrazol-1-amine.
What is the SMILES notation for dimethyl benzene-1,2-dicarboxylate;tetrazol-1-amine?
The canonical SMILES for dimethyl benzene-1,2-dicarboxylate;tetrazol-1-amine is COC(=O)c1ccccc1C(=O)OC.Nn1cnnn1.
What is the InChIKey of dimethyl benzene-1,2-dicarboxylate;tetrazol-1-amine?
The InChIKey is JLPOQOAEGIMSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4.CH3N5/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2;2-6-1-3-4-5-6/h3-6H,1-2H3;1H,2H2.
What are the key properties of dimethyl benzene-1,2-dicarboxylate;tetrazol-1-amine?
dimethyl benzene-1,2-dicarboxylate;tetrazol-1-amine has a molecular weight of 279.26 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl benzene-1,2-dicarboxylate;tetrazol-1-amine is sourced from PubChem (CID 175560228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).