1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-nitropyrimidine-2,4-dione

C8H8N6O4S — CID 79763903

IUPAC1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-nitropyrimidine-2,4-dione
SMILESNNc1ncc(Cn2cc([N+](=O)[O-])c(=O)[nH]c2=O)s1
InChIInChI=1S/C8H8N6O4S/c9-12-7-10-1-4(19-7)2-13-3-5(14(17)18)6(15)11-8(13)16/h1,3H,2,9H2,(H,10,12)(H,11,15,16)
InChIKeyDAWYUFLTGWJASZ-UHFFFAOYSA-N
MW284.26 g/mol
LogP-0.76
Rot. Bonds4

About 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-nitropyrimidine-2,4-dione

1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-nitropyrimidine-2,4-dione (PubChem CID 79763903) has the molecular formula C8H8N6O4S and a molecular weight of 284.26 g/mol. Its IUPAC name is 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-nitropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-nitropyrimidine-2,4-dione
PubChem CID79763903
Molecular FormulaC8H8N6O4S
Molecular Weight284.26 g/mol
Exact Mass284.03
IUPAC Name1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-nitropyrimidine-2,4-dione
SMILESNNc1ncc(Cn2cc([N+](=O)[O-])c(=O)[nH]c2=O)s1
InChIInChI=1S/C8H8N6O4S/c9-12-7-10-1-4(19-7)2-13-3-5(14(17)18)6(15)11-8(13)16/h1,3H,2,9H2,(H,10,12)(H,11,15,16)
InChIKeyDAWYUFLTGWJASZ-UHFFFAOYSA-N
XLogP-0.76
TPSA148.94 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-nitropyrimidine-2,4-dione?
The IUPAC name of 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-nitropyrimidine-2,4-dione (CID 79763903) is 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-nitropyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-nitropyrimidine-2,4-dione?
The canonical SMILES for 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-nitropyrimidine-2,4-dione is NNc1ncc(Cn2cc([N+](=O)[O-])c(=O)[nH]c2=O)s1.
What is the InChIKey of 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-nitropyrimidine-2,4-dione?
The InChIKey is DAWYUFLTGWJASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O4S/c9-12-7-10-1-4(19-7)2-13-3-5(14(17)18)6(15)11-8(13)16/h1,3H,2,9H2,(H,10,12)(H,11,15,16).
What are the key properties of 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-nitropyrimidine-2,4-dione?
1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-nitropyrimidine-2,4-dione has a molecular weight of 284.26 g/mol, XLogP of -0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-nitropyrimidine-2,4-dione is sourced from PubChem (CID 79763903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).