1-[[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol

C15H12N6O3 — CID 4220660

IUPAC1-[[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESNc1ncnc(NN=Cc2c(O)ccc3ccccc23)c1[N+](=O)[O-]
InChIInChI=1S/C15H12N6O3/c16-14-13(21(23)24)15(18-8-17-14)20-19-7-11-10-4-2-1-3-9(10)5-6-12(11)22/h1-8,22H,(H3,16,17,18,20)
InChIKeyDONNLSITUBUQQE-UHFFFAOYSA-N
MW324.30 g/mol
LogP2.27
Rot. Bonds4

About 1-[[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol

1-[[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol (PubChem CID 4220660) has the molecular formula C15H12N6O3 and a molecular weight of 324.30 g/mol. Its IUPAC name is 1-[[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol
PubChem CID4220660
Molecular FormulaC15H12N6O3
Molecular Weight324.30 g/mol
Exact Mass324.10
IUPAC Name1-[[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESNc1ncnc(NN=Cc2c(O)ccc3ccccc23)c1[N+](=O)[O-]
InChIInChI=1S/C15H12N6O3/c16-14-13(21(23)24)15(18-8-17-14)20-19-7-11-10-4-2-1-3-9(10)5-6-12(11)22/h1-8,22H,(H3,16,17,18,20)
InChIKeyDONNLSITUBUQQE-UHFFFAOYSA-N
XLogP2.27
TPSA139.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-[[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol (CID 4220660) is 1-[[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol is Nc1ncnc(NN=Cc2c(O)ccc3ccccc23)c1[N+](=O)[O-].
What is the InChIKey of 1-[[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol?
The InChIKey is DONNLSITUBUQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O3/c16-14-13(21(23)24)15(18-8-17-14)20-19-7-11-10-4-2-1-3-9(10)5-6-12(11)22/h1-8,22H,(H3,16,17,18,20).
What are the key properties of 1-[[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol?
1-[[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol has a molecular weight of 324.30 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol is sourced from PubChem (CID 4220660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).