naphthalene-1,2-dicarboxamide;tetrazine

C14H12N6O2 — CID 175558272

IUPACnaphthalene-1,2-dicarboxamide;tetrazine
SMILESNC(=O)c1ccc2ccccc2c1C(N)=O.c1cnnnn1
InChIInChI=1S/C12H10N2O2.C2H2N4/c13-11(15)9-6-5-7-3-1-2-4-8(7)10(9)12(14)16;1-2-4-6-5-3-1/h1-6H,(H2,13,15)(H2,14,16);1-2H
InChIKeyRDJZHSMVIQYXQO-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.30
Rot. Bonds2

About naphthalene-1,2-dicarboxamide;tetrazine

naphthalene-1,2-dicarboxamide;tetrazine (PubChem CID 175558272) has the molecular formula C14H12N6O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is naphthalene-1,2-dicarboxamide;tetrazine.

Molecular Properties

Compound Namenaphthalene-1,2-dicarboxamide;tetrazine
PubChem CID175558272
Molecular FormulaC14H12N6O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Namenaphthalene-1,2-dicarboxamide;tetrazine
SMILESNC(=O)c1ccc2ccccc2c1C(N)=O.c1cnnnn1
InChIInChI=1S/C12H10N2O2.C2H2N4/c13-11(15)9-6-5-7-3-1-2-4-8(7)10(9)12(14)16;1-2-4-6-5-3-1/h1-6H,(H2,13,15)(H2,14,16);1-2H
InChIKeyRDJZHSMVIQYXQO-UHFFFAOYSA-N
XLogP0.30
TPSA137.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of naphthalene-1,2-dicarboxamide;tetrazine?
The IUPAC name of naphthalene-1,2-dicarboxamide;tetrazine (CID 175558272) is naphthalene-1,2-dicarboxamide;tetrazine.
What is the SMILES notation for naphthalene-1,2-dicarboxamide;tetrazine?
The canonical SMILES for naphthalene-1,2-dicarboxamide;tetrazine is NC(=O)c1ccc2ccccc2c1C(N)=O.c1cnnnn1.
What is the InChIKey of naphthalene-1,2-dicarboxamide;tetrazine?
The InChIKey is RDJZHSMVIQYXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2.C2H2N4/c13-11(15)9-6-5-7-3-1-2-4-8(7)10(9)12(14)16;1-2-4-6-5-3-1/h1-6H,(H2,13,15)(H2,14,16);1-2H.
What are the key properties of naphthalene-1,2-dicarboxamide;tetrazine?
naphthalene-1,2-dicarboxamide;tetrazine has a molecular weight of 296.29 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1,2-dicarboxamide;tetrazine is sourced from PubChem (CID 175558272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).