1-[(2-hydrazinyl-4-pyridinyl)methyl]-5-nitropyrimidin-2-one

C10H10N6O3 — CID 104697297

IUPAC1-[(2-hydrazinyl-4-pyridinyl)methyl]-5-nitropyrimidin-2-one
SMILESNNc1cc(Cn2cc([N+](=O)[O-])cnc2=O)ccn1
InChIInChI=1S/C10H10N6O3/c11-14-9-3-7(1-2-12-9)5-15-6-8(16(18)19)4-13-10(15)17/h1-4,6H,5,11H2,(H,12,14)
InChIKeyZCCJWSPTFRPXOM-UHFFFAOYSA-N
MW262.23 g/mol
LogP-0.12
Rot. Bonds4

About 1-[(2-hydrazinyl-4-pyridinyl)methyl]-5-nitropyrimidin-2-one

1-[(2-hydrazinyl-4-pyridinyl)methyl]-5-nitropyrimidin-2-one (PubChem CID 104697297) has the molecular formula C10H10N6O3 and a molecular weight of 262.23 g/mol. Its IUPAC name is 1-[(2-hydrazinyl-4-pyridinyl)methyl]-5-nitropyrimidin-2-one.

Molecular Properties

Compound Name1-[(2-hydrazinyl-4-pyridinyl)methyl]-5-nitropyrimidin-2-one
PubChem CID104697297
Molecular FormulaC10H10N6O3
Molecular Weight262.23 g/mol
Exact Mass262.08
IUPAC Name1-[(2-hydrazinyl-4-pyridinyl)methyl]-5-nitropyrimidin-2-one
SMILESNNc1cc(Cn2cc([N+](=O)[O-])cnc2=O)ccn1
InChIInChI=1S/C10H10N6O3/c11-14-9-3-7(1-2-12-9)5-15-6-8(16(18)19)4-13-10(15)17/h1-4,6H,5,11H2,(H,12,14)
InChIKeyZCCJWSPTFRPXOM-UHFFFAOYSA-N
XLogP-0.12
TPSA128.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Related Compounds

1-[[2-(ethylamino)-4-pyridinyl]methyl]-5-nitropyrimidin-2-one
CID 104697265
1-[(2-hydrazinyl-4-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one
CID 79355238
1-[(3-amino-5-bromophenyl)methyl]-5-nitropyrimidin-2-one
CID 103350209
4-[(5-nitro-2-oxopyrimidin-1-yl)methyl]benzoic acid
CID 104697095
5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidin-4-one
CID 66310429
1-[(2-hydrazinyl-4-pyridinyl)methyl]-4-methylpyridin-2-one
CID 62961783
5-fluoro-1-[(2-hydrazinyl-4-pyridinyl)methyl]pyrimidine-2,4-dione
CID 63559395
1-[2-(methylamino)ethyl]-5-nitropyrimidin-2-one
CID 83831471
5-nitro-1-[3-(propan-2-ylamino)propyl]pyrimidin-2-one
CID 113442584
1-[2-(5-nitro-2-oxopyrimidin-1-yl)ethyl]triazole-4-carbohydrazide
CID 104697400
1-[2-(3-methylbutan-2-ylamino)ethyl]-5-nitropyrimidin-2-one
CID 104697353
1-[2-(furan-2-yl)-2-oxoethyl]-5-nitropyrimidin-2-one
CID 113442591

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydrazinyl-4-pyridinyl)methyl]-5-nitropyrimidin-2-one?
The IUPAC name of 1-[(2-hydrazinyl-4-pyridinyl)methyl]-5-nitropyrimidin-2-one (CID 104697297) is 1-[(2-hydrazinyl-4-pyridinyl)methyl]-5-nitropyrimidin-2-one.
What is the SMILES notation for 1-[(2-hydrazinyl-4-pyridinyl)methyl]-5-nitropyrimidin-2-one?
The canonical SMILES for 1-[(2-hydrazinyl-4-pyridinyl)methyl]-5-nitropyrimidin-2-one is NNc1cc(Cn2cc([N+](=O)[O-])cnc2=O)ccn1.
What is the InChIKey of 1-[(2-hydrazinyl-4-pyridinyl)methyl]-5-nitropyrimidin-2-one?
The InChIKey is ZCCJWSPTFRPXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O3/c11-14-9-3-7(1-2-12-9)5-15-6-8(16(18)19)4-13-10(15)17/h1-4,6H,5,11H2,(H,12,14).
What are the key properties of 1-[(2-hydrazinyl-4-pyridinyl)methyl]-5-nitropyrimidin-2-one?
1-[(2-hydrazinyl-4-pyridinyl)methyl]-5-nitropyrimidin-2-one has a molecular weight of 262.23 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydrazinyl-4-pyridinyl)methyl]-5-nitropyrimidin-2-one is sourced from PubChem (CID 104697297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).