3-[ethyl-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]propanenitrile

C10H15N7O2 — CID 114044975

IUPAC3-[ethyl-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]propanenitrile
SMILESCCN(CCC#N)c1nc(NN)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N7O2/c1-3-16(6-4-5-11)9-8(17(18)19)7(2)13-10(14-9)15-12/h3-4,6,12H2,1-2H3,(H,13,14,15)
InChIKeyWRIKXUCJTZXARS-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.72
Rot. Bonds6

About 3-[ethyl-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]propanenitrile

3-[ethyl-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]propanenitrile (PubChem CID 114044975) has the molecular formula C10H15N7O2 and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-[ethyl-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[ethyl-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]propanenitrile
PubChem CID114044975
Molecular FormulaC10H15N7O2
Molecular Weight265.28 g/mol
Exact Mass265.13
IUPAC Name3-[ethyl-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]propanenitrile
SMILESCCN(CCC#N)c1nc(NN)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N7O2/c1-3-16(6-4-5-11)9-8(17(18)19)7(2)13-10(14-9)15-12/h3-4,6,12H2,1-2H3,(H,13,14,15)
InChIKeyWRIKXUCJTZXARS-UHFFFAOYSA-N
XLogP0.72
TPSA134.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.72
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

2-[ethyl-[6-methyl-2-(methylamino)-5-nitropyrimidin-4-yl]amino]ethanol
CID 114044452
3-[ethyl-(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]propanenitrile
CID 80905442
3-[ethyl-(6-methyl-5-nitro-2-pyridinyl)amino]propanenitrile
CID 80711760
3-[ethyl-(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]propanenitrile
CID 66012520
3-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]propanenitrile
CID 80916272
2-chloro-N-ethyl-6-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 114043145
3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80916985
N-hexan-2-yl-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine
CID 114045013
2-hydrazinyl-6-methyl-N-(1-methylsulfanylbutan-2-yl)-5-nitropyrimidin-4-amine
CID 114045206
N-(2,3-dimethylbutyl)-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine
CID 114045065
N-ethyl-6-hydrazinyl-5-nitro-N-propylpyrimidin-4-amine
CID 80943828
2-hydrazinyl-4,6-dimethyl-5-nitropyridine-3-carbonitrile
CID 91622973

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]propanenitrile?
The IUPAC name of 3-[ethyl-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]propanenitrile (CID 114044975) is 3-[ethyl-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]propanenitrile.
What is the SMILES notation for 3-[ethyl-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]propanenitrile?
The canonical SMILES for 3-[ethyl-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]propanenitrile is CCN(CCC#N)c1nc(NN)nc(C)c1[N+](=O)[O-].
What is the InChIKey of 3-[ethyl-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]propanenitrile?
The InChIKey is WRIKXUCJTZXARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O2/c1-3-16(6-4-5-11)9-8(17(18)19)7(2)13-10(14-9)15-12/h3-4,6,12H2,1-2H3,(H,13,14,15).
What are the key properties of 3-[ethyl-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]propanenitrile?
3-[ethyl-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]propanenitrile has a molecular weight of 265.28 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]propanenitrile is sourced from PubChem (CID 114044975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).