1-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidine-2,4-dione

C10H11N5O2 — CID 62246916

IUPAC1-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidine-2,4-dione
SMILESNNc1ccc(Cn2ccc(=O)[nH]c2=O)cn1
InChIInChI=1S/C10H11N5O2/c11-14-8-2-1-7(5-12-8)6-15-4-3-9(16)13-10(15)17/h1-5H,6,11H2,(H,12,14)(H,13,16,17)
InChIKeyBHJOSXJXMRPEOL-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.73
Rot. Bonds3

About 1-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidine-2,4-dione

1-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidine-2,4-dione (PubChem CID 62246916) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidine-2,4-dione
PubChem CID62246916
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name1-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidine-2,4-dione
SMILESNNc1ccc(Cn2ccc(=O)[nH]c2=O)cn1
InChIInChI=1S/C10H11N5O2/c11-14-8-2-1-7(5-12-8)6-15-4-3-9(16)13-10(15)17/h1-5H,6,11H2,(H,12,14)(H,13,16,17)
InChIKeyBHJOSXJXMRPEOL-UHFFFAOYSA-N
XLogP-0.73
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-hydrazinyl-3-pyridinyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidine-2,4-dione (CID 62246916) is 1-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidine-2,4-dione is NNc1ccc(Cn2ccc(=O)[nH]c2=O)cn1.
What is the InChIKey of 1-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidine-2,4-dione?
The InChIKey is BHJOSXJXMRPEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c11-14-8-2-1-7(5-12-8)6-15-4-3-9(16)13-10(15)17/h1-5H,6,11H2,(H,12,14)(H,13,16,17).
What are the key properties of 1-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidine-2,4-dione?
1-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidine-2,4-dione has a molecular weight of 233.23 g/mol, XLogP of -0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 62246916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).