benzene-1,3-dicarboxylic acid;N-methylpyrazin-2-amine

C13H13N3O4 — CID 174577311

IUPACbenzene-1,3-dicarboxylic acid;N-methylpyrazin-2-amine
SMILESCNc1cnccn1.O=C(O)c1cccc(C(=O)O)c1
InChIInChI=1S/C8H6O4.C5H7N3/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-6-5-4-7-2-3-8-5/h1-4H,(H,9,10)(H,11,12);2-4H,1H3,(H,6,8)
InChIKeyVOZZUJVBXYGAJG-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.60
Rot. Bonds3

About benzene-1,3-dicarboxylic acid;N-methylpyrazin-2-amine

benzene-1,3-dicarboxylic acid;N-methylpyrazin-2-amine (PubChem CID 174577311) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is benzene-1,3-dicarboxylic acid;N-methylpyrazin-2-amine.

Molecular Properties

Compound Namebenzene-1,3-dicarboxylic acid;N-methylpyrazin-2-amine
PubChem CID174577311
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Namebenzene-1,3-dicarboxylic acid;N-methylpyrazin-2-amine
SMILESCNc1cnccn1.O=C(O)c1cccc(C(=O)O)c1
InChIInChI=1S/C8H6O4.C5H7N3/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-6-5-4-7-2-3-8-5/h1-4H,(H,9,10)(H,11,12);2-4H,1H3,(H,6,8)
InChIKeyVOZZUJVBXYGAJG-UHFFFAOYSA-N
XLogP1.60
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

benzene-1,3-dicarboxylic acid;N-methylpyridin-2-amine;hydrochloride
CID 174581596
benzene-1,3-dicarboxylic acid;N-methylpyridin-3-amine;hydrochloride
CID 174581600
benzene-1,3-dicarboxylic acid;phosphane
CID 87088729
benzene-1,3-dicarboxylic acid;rhodium
CID 158643535
CID 139146863
CID 139146863
CID 175726263
CID 175726263
benzene-1,3-dicarboxylic acid;titanium
CID 87166459
3-(methylamino)benzoic acid;hydrochloride
CID 55250935
3-pyridin-3-ylbenzoic acid
CID 2795575
benzene-1,3-dicarboxylic acid;formaldehyde
CID 159467147
benzene-1,3-dicarboxylic acid;bis(oxovanadium)
CID 175058982
tris(benzene-1,3-dicarboxylic acid);terephthalic acid
CID 173416793

Frequently Asked Questions

What is the IUPAC name of benzene-1,3-dicarboxylic acid;N-methylpyrazin-2-amine?
The IUPAC name of benzene-1,3-dicarboxylic acid;N-methylpyrazin-2-amine (CID 174577311) is benzene-1,3-dicarboxylic acid;N-methylpyrazin-2-amine.
What is the SMILES notation for benzene-1,3-dicarboxylic acid;N-methylpyrazin-2-amine?
The canonical SMILES for benzene-1,3-dicarboxylic acid;N-methylpyrazin-2-amine is CNc1cnccn1.O=C(O)c1cccc(C(=O)O)c1.
What is the InChIKey of benzene-1,3-dicarboxylic acid;N-methylpyrazin-2-amine?
The InChIKey is VOZZUJVBXYGAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C5H7N3/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-6-5-4-7-2-3-8-5/h1-4H,(H,9,10)(H,11,12);2-4H,1H3,(H,6,8).
What are the key properties of benzene-1,3-dicarboxylic acid;N-methylpyrazin-2-amine?
benzene-1,3-dicarboxylic acid;N-methylpyrazin-2-amine has a molecular weight of 275.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-dicarboxylic acid;N-methylpyrazin-2-amine is sourced from PubChem (CID 174577311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).