[5-(2-nitroanilino)pyrazine-2-carbonyl]azanide;yttrium

C11H8N5O3Y- — CID 58993789

IUPAC[5-(2-nitroanilino)pyrazine-2-carbonyl]azanide;yttrium
SMILES[NH-]C(=O)c1cnc(Nc2ccccc2[N+](=O)[O-])cn1.[Y]
InChIInChI=1S/C11H9N5O3.Y/c12-11(17)8-5-14-10(6-13-8)15-7-3-1-2-4-9(7)16(18)19;/h1-6H,(H3,12,14,15,17);/p-1
InChIKeySHEYZZHUQQBWQF-UHFFFAOYSA-M
MW347.12 g/mol
LogP2.32
Rot. Bonds4

About [5-(2-nitroanilino)pyrazine-2-carbonyl]azanide;yttrium

[5-(2-nitroanilino)pyrazine-2-carbonyl]azanide;yttrium (PubChem CID 58993789) has the molecular formula C11H8N5O3Y- and a molecular weight of 347.12 g/mol. Its IUPAC name is [5-(2-nitroanilino)pyrazine-2-carbonyl]azanide;yttrium.

Molecular Properties

Compound Name[5-(2-nitroanilino)pyrazine-2-carbonyl]azanide;yttrium
PubChem CID58993789
Molecular FormulaC11H8N5O3Y-
Molecular Weight347.12 g/mol
Exact Mass346.97
IUPAC Name[5-(2-nitroanilino)pyrazine-2-carbonyl]azanide;yttrium
SMILES[NH-]C(=O)c1cnc(Nc2ccccc2[N+](=O)[O-])cn1.[Y]
InChIInChI=1S/C11H9N5O3.Y/c12-11(17)8-5-14-10(6-13-8)15-7-3-1-2-4-9(7)16(18)19;/h1-6H,(H3,12,14,15,17);/p-1
InChIKeySHEYZZHUQQBWQF-UHFFFAOYSA-M
XLogP2.32
TPSA121.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.12
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2-nitroanilino)pyrazine-2-carboxamide
CID 58993790
N-(2-nitrophenyl)pyridin-4-amine
CID 2784609
N-(2-nitrophenyl)quinolin-2-amine
CID 54688542
6-methyl-N-(2-nitrophenyl)pyridin-2-amine
CID 69251400
N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414583
5-N-(2-nitrophenyl)-2-N-(oxetan-3-yl)pyridine-2,5-diamine
CID 150511289
methyl 3-(2-nitroanilino)pyridine-4-carboxylate
CID 170913350
2-[2-(2-nitroanilino)phenyl]acetic acid
CID 18546327
carbamic acid;N-methyl-2-nitroaniline
CID 175546963
2-bromo-N-(2-nitrophenyl)pyridin-4-amine
CID 151479059
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
2-bromo-N-(2-nitrophenyl)pyridine-4-carboxamide
CID 114037408

Frequently Asked Questions

What is the IUPAC name of [5-(2-nitroanilino)pyrazine-2-carbonyl]azanide;yttrium?
The IUPAC name of [5-(2-nitroanilino)pyrazine-2-carbonyl]azanide;yttrium (CID 58993789) is [5-(2-nitroanilino)pyrazine-2-carbonyl]azanide;yttrium.
What is the SMILES notation for [5-(2-nitroanilino)pyrazine-2-carbonyl]azanide;yttrium?
The canonical SMILES for [5-(2-nitroanilino)pyrazine-2-carbonyl]azanide;yttrium is [NH-]C(=O)c1cnc(Nc2ccccc2[N+](=O)[O-])cn1.[Y].
What is the InChIKey of [5-(2-nitroanilino)pyrazine-2-carbonyl]azanide;yttrium?
The InChIKey is SHEYZZHUQQBWQF-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H9N5O3.Y/c12-11(17)8-5-14-10(6-13-8)15-7-3-1-2-4-9(7)16(18)19;/h1-6H,(H3,12,14,15,17);/p-1.
What are the key properties of [5-(2-nitroanilino)pyrazine-2-carbonyl]azanide;yttrium?
[5-(2-nitroanilino)pyrazine-2-carbonyl]azanide;yttrium has a molecular weight of 347.12 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-nitroanilino)pyrazine-2-carbonyl]azanide;yttrium is sourced from PubChem (CID 58993789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).