[5-nitro-6-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]hydrazine

C7H8F3N5O3 — CID 82957059

IUPAC[5-nitro-6-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]hydrazine
SMILESNNc1ncnc(OCCC(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C7H8F3N5O3/c8-7(9,10)1-2-18-6-4(15(16)17)5(14-11)12-3-13-6/h3H,1-2,11H2,(H,12,13,14)
InChIKeyVLXPHVJDDOVQIB-UHFFFAOYSA-N
MW267.17 g/mol
LogP1.00
Rot. Bonds5

About [5-nitro-6-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]hydrazine

[5-nitro-6-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]hydrazine (PubChem CID 82957059) has the molecular formula C7H8F3N5O3 and a molecular weight of 267.17 g/mol. Its IUPAC name is [5-nitro-6-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-nitro-6-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]hydrazine
PubChem CID82957059
Molecular FormulaC7H8F3N5O3
Molecular Weight267.17 g/mol
Exact Mass267.06
IUPAC Name[5-nitro-6-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]hydrazine
SMILESNNc1ncnc(OCCC(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C7H8F3N5O3/c8-7(9,10)1-2-18-6-4(15(16)17)5(14-11)12-3-13-6/h3H,1-2,11H2,(H,12,13,14)
InChIKeyVLXPHVJDDOVQIB-UHFFFAOYSA-N
XLogP1.00
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyethanol
CID 80912433
[6-(1-methoxypropan-2-yloxy)-5-nitropyrimidin-4-yl]hydrazine
CID 80925033
6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 80860362
[4-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyphenyl]methanol
CID 80920876
5-nitro-6-propoxy-N-propylpyrimidin-4-amine
CID 80866918
[6-[(3-methoxyphenyl)methoxy]-5-nitropyrimidin-4-yl]hydrazine
CID 80906474
[6-(2-iodophenoxy)-5-nitropyrimidin-4-yl]hydrazine
CID 80920818
N-methyl-6-(3-methylbutoxy)-5-nitropyrimidin-4-amine
CID 80858601
6-heptoxy-N-methyl-5-nitropyrimidin-4-amine
CID 80861777
6-ethoxy-N-methyl-5-nitropyrimidin-4-amine
CID 23486998
6-(2-ethoxyethoxy)-N-ethyl-5-nitropyrimidin-4-amine
CID 80858662
6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-5-nitropyrimidin-4-amine
CID 80896203

Frequently Asked Questions

What is the IUPAC name of [5-nitro-6-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [5-nitro-6-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]hydrazine (CID 82957059) is [5-nitro-6-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5-nitro-6-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [5-nitro-6-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]hydrazine is NNc1ncnc(OCCC(F)(F)F)c1[N+](=O)[O-].
What is the InChIKey of [5-nitro-6-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is VLXPHVJDDOVQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N5O3/c8-7(9,10)1-2-18-6-4(15(16)17)5(14-11)12-3-13-6/h3H,1-2,11H2,(H,12,13,14).
What are the key properties of [5-nitro-6-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]hydrazine?
[5-nitro-6-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 267.17 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-nitro-6-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 82957059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).